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

Systemtic Name: methyl 2-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C30H27N3O4S2 MolecularWeight: 557.68308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C30H27N3O4S2/c1-36-26-18-9-8-17-25(26)33-30(38)31-21-13-10-14-22(19-21)39-27(20-11-4-3-5-12-20)28(34)32-24-16-7-6-15-23(24)29(35)37-2/h3-19,27H,1-2H3,(H,32,34)(H2,31,33,38)