methyl N-(3-cyanophenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(3-cyanophenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(3-cyanophenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(3-cyanophenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-cyanophenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(3-cyanophenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3S/c1-13(15-8-4-3-5-9-15)19-17(21-2)20-16-10-6-7-14(11-16)12-18/h3-11,13H,1-2H3,(H,19,20)