butyl 4-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C32H29N3O6S MolecularWeight: 583.65416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H29N3O6S/c1-2-3-20-41-32(38)23-12-14-25(15-13-23)34-31(37)29(22-8-5-4-6-9-22)42-28-18-16-26(17-19-28)33-30(36)24-10-7-11-27(21-24)35(39)40/h4-19,21,29H,2-3,20H2,1H3,(H,33,36)(H,34,37)