(4-cyanophenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-(m-tolyl)isothiourea Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3S/c1-12-3-2-4-15(9-12)19-16(18)20-11-14-7-5-13(10-17)6-8-14/h2-9H,11H2,1H3,(H2,18,19)