methyl 2-[[N-(4-methylphenyl)-C-(phenylmethylsulfanyl)carbonimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[[N-(4-methylphenyl)-C-(phenylmethylsulfanyl)carbonimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 2-[[C-benzylsulfanyl-N-(p-tolyl)carbonimidoyl]sulfanylmethyl]benzoate CAS Name: 2-[[[(4-methylphenyl)imino-(phenylmethylthio)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[C-benzylsulfanyl-N-(4-methylphenyl)carbonimidoyl]sulfanylmethyl]benzoate Traditional Name: 2-[[[C-(benzylthio)-N-(p-tolyl)carbonimidoyl]thio]methyl]benzoic acid methyl ester Formula: C24H23NO2S2 MolecularWeight: 421.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H23NO2S2/c1-18-12-14-21(15-13-18)25-24(28-16-19-8-4-3-5-9-19)29-17-20-10-6-7-11-22(20)23(26)27-2/h3-15H,16-17H2,1-2H3