[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium

C18H20Cl2N3O2S+ — CID 4607950

IUPAC[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium
SMILESCCNC(=S)N[NH+]=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-3-21-18(26)23-22-10-12-5-7-16(17(9-12)24-2)25-11-13-4-6-14(19)15(20)8-13/h4-10H,3,11H2,1-2H3,(H2,21,23,26)/p+1
InChIKeyDKCTUIJMXJAGEF-UHFFFAOYSA-O
MW413.35 g/mol
LogP2.48
Rot. Bonds7

About [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium

[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium (PubChem CID 4607950) has the molecular formula C18H20Cl2N3O2S+ and a molecular weight of 413.35 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium
PubChem CID4607950
Molecular FormulaC18H20Cl2N3O2S+
Molecular Weight413.35 g/mol
Exact Mass412.06
IUPAC Name[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium
SMILESCCNC(=S)N[NH+]=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-3-21-18(26)23-22-10-12-5-7-16(17(9-12)24-2)25-11-13-4-6-14(19)15(20)8-13/h4-10H,3,11H2,1-2H3,(H2,21,23,26)/p+1
InChIKeyDKCTUIJMXJAGEF-UHFFFAOYSA-O
XLogP2.48
TPSA56.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 4278394
[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium
CID 5010778
1-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 20998516
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 4607949
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
(ethylcarbamothioylamino)-[(3,4,5-trimethoxyphenyl)methylidene]azanium
CID 3622820
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
(E)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 6092087
(3-ethoxy-4-hexoxyphenyl)methylidene-(ethylcarbamothioylamino)azanium
CID 4580803
1-ethyl-3-[[3-methoxy-4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 4081572
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 5053312

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium?
The IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium (CID 4607950) is [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium is CCNC(=S)N[NH+]=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium?
The InChIKey is DKCTUIJMXJAGEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-3-21-18(26)23-22-10-12-5-7-16(17(9-12)24-2)25-11-13-4-6-14(19)15(20)8-13/h4-10H,3,11H2,1-2H3,(H2,21,23,26)/p+1.
What are the key properties of [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium?
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium has a molecular weight of 413.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(ethylcarbamothioylamino)azanium is sourced from PubChem (CID 4607950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).