butyl 4-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O6S/c1-3-5-17-37-28(34)20-9-13-21(14-10-20)29-27(33)25(4-2)38-24-8-6-7-22(18-24)30-26(32)19-11-15-23(16-12-19)31(35)36/h6-16,18,25H,3-5,17H2,1-2H3,(H,29,33)(H,30,32)