methyl N-(4-cyanophenyl)-N-(diphenylmethyl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N-(diphenylmethyl)carbamimidothioate Openeye Name: 1-benzhydryl-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N-(diphenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzhydryl-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 1-benzhydryl-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C22H19N3S MolecularWeight: 357.47136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N(C1=CC=C(C=C1)C#N)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=N)N(C1=CC=C(C=C1)C#N)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3S/c1-26-22(24)25(20-14-12-17(16-23)13-15-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,24H,1H3