methyl 2-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C30H27N3O3S2 MolecularWeight: 541.68368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C30H27N3O3S2/c1-20-15-17-22(18-16-20)31-30(37)32-23-11-8-12-24(19-23)38-27(21-9-4-3-5-10-21)28(34)33-26-14-7-6-13-25(26)29(35)36-2/h3-19,27H,1-2H3,(H,33,34)(H2,31,32,37)