(4-cyanophenyl)methyl N'-(phenylmethyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3S/c17-10-13-6-8-15(9-7-13)12-20-16(18)19-11-14-4-2-1-3-5-14/h1-9H,11-12H2,(H2,18,19)