[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea

C24H24N6O2S2 — CID 139235234

IUPAC[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccc(OCc2ccccc2COc2ccc(/C=N\NC(N)=S)cc2)cc1
InChIInChI=1S/C24H24N6O2S2/c25-23(33)29-27-13-17-5-9-21(10-6-17)31-15-19-3-1-2-4-20(19)16-32-22-11-7-18(8-12-22)14-28-30-24(26)34/h1-14H,15-16H2,(H3,25,29,33)(H3,26,30,34)/b27-13-,28-14-
InChIKeyRTANEEIHBBIAND-JEGUCOMDSA-N
MW492.63 g/mol
LogP3.18
Rot. Bonds10

About [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea

[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea (PubChem CID 139235234) has the molecular formula C24H24N6O2S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
PubChem CID139235234
Molecular FormulaC24H24N6O2S2
Molecular Weight492.63 g/mol
Exact Mass492.14
IUPAC Name[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccc(OCc2ccccc2COc2ccc(/C=N\NC(N)=S)cc2)cc1
InChIInChI=1S/C24H24N6O2S2/c25-23(33)29-27-13-17-5-9-21(10-6-17)31-15-19-3-1-2-4-20(19)16-32-22-11-7-18(8-12-22)14-28-30-24(26)34/h1-14H,15-16H2,(H3,25,29,33)(H3,26,30,34)/b27-13-,28-14-
InChIKeyRTANEEIHBBIAND-JEGUCOMDSA-N
XLogP3.18
TPSA119.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea with MolForge

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Related Compounds

[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
[[2-[(4-fluorophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 168534550
[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535210
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
[[4-(2-methylprop-2-enoxy)phenyl]methylideneamino]thiourea
CID 85334914
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
1-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56693861
[[2-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 168534625
[[3-[(4-fluorophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 168534558
[(E)-(4-phenylphenyl)methylideneamino]thiourea;hydrate
CID 139078865

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea (CID 139235234) is [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea is NC(=S)N/N=C\c1ccc(OCc2ccccc2COc2ccc(/C=N\NC(N)=S)cc2)cc1.
What is the InChIKey of [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea?
The InChIKey is RTANEEIHBBIAND-JEGUCOMDSA-N. The full InChI is InChI=1S/C24H24N6O2S2/c25-23(33)29-27-13-17-5-9-21(10-6-17)31-15-19-3-1-2-4-20(19)16-32-22-11-7-18(8-12-22)14-28-30-24(26)34/h1-14H,15-16H2,(H3,25,29,33)(H3,26,30,34)/b27-13-,28-14-.
What are the key properties of [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea?
[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea has a molecular weight of 492.63 g/mol, XLogP of 3.18, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 139235234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).