methyl N-(3,4-dichlorophenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(3,4-dichlorophenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(3,4-dichlorophenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(3,4-dichlorophenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3,4-dichlorophenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(3,4-dichlorophenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C16H16Cl2N2S MolecularWeight: 339.28264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC(=C(C=C2)Cl)Cl)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC(=C(C=C2)Cl)Cl)SC

InChI

InChI=1S/C16H16Cl2N2S/c1-11(12-6-4-3-5-7-12)19-16(21-2)20-13-8-9-14(17)15(18)10-13/h3-11H,1-2H3,(H,19,20)