methyl 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H27N3O4S2/c1-4-24(25(32)30-23-11-6-5-10-22(23)26(33)34-3)36-21-9-7-8-20(16-21)29-27(35)28-19-14-12-18(13-15-19)17(2)31/h5-16,24H,4H2,1-3H3,(H,30,32)(H2,28,29,35)