methyl N-(4-cyano-3-methyl-phenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(4-cyano-3-methyl-phenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(4-cyano-3-methyl-phenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(4-cyano-3-methylphenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyano-3-methylphenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(4-cyano-3-methyl-phenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=NC(C)C2=CC=CC=C2)SC)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=NC(C)C2=CC=CC=C2)SC)C#N

InChI

InChI=1S/C18H19N3S/c1-13-11-17(10-9-16(13)12-19)21-18(22-3)20-14(2)15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,20,21)