(3-cyanophenyl)methyl N'-(phenylcarbamothioyl)carbamimidothioate

Systemtic Name: (3-cyanophenyl)methyl N'-(phenylcarbamothioyl)carbamimidothioate Openeye Name: (1E)-1-[amino-[(3-cyanophenyl)methylsulfanyl]methylene]-3-phenyl-thiourea CAS Name: N'-[anilino(sulfanylidene)methyl]carbamimidothioic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl N'-(phenylcarbamothioyl)carbamimidothioate Traditional Name: (1E)-1-[amino-[(3-cyanobenzyl)thio]methylene]-3-phenyl-thiourea Formula: C16H14N4S2 MolecularWeight: 326.43916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N=C(N)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)/N=C(\N)/SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H14N4S2/c17-10-12-5-4-6-13(9-12)11-22-15(18)20-16(21)19-14-7-2-1-3-8-14/h1-9H,11H2,(H3,18,19,20,21)