(phenylmethyl) N-methyl-N-phenyl-N'-[(phenylmethyl)carbamothioyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N-methyl-N-phenyl-N'-[(phenylmethyl)carbamothioyl]carbamimidothioate Openeye Name: (3Z)-1-benzyl-3-[benzylsulfanyl-(N-methylanilino)methylene]thiourea CAS Name: N-methyl-N-phenyl-N'-[[(phenylmethyl)amino]-sulfanylidenemethyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(benzylcarbamothioyl)-N-methyl-N-phenylcarbamimidothioate Traditional Name: (3Z)-1-benzyl-3-[(benzylthio)-(N-methylanilino)methylene]thiourea Formula: C23H23N3S2 MolecularWeight: 405.57882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=NC(=S)NCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1)/C(=N/C(=S)NCC2=CC=CC=C2)/SCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3S2/c1-26(21-15-9-4-10-16-21)23(28-18-20-13-7-3-8-14-20)25-22(27)24-17-19-11-5-2-6-12-19/h2-16H,17-18H2,1H3,(H,24,27)/b25-23-