4-methyl-3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6S/c1-3-22(24(30)27-21-13-17(25(31)32)8-7-15(21)2)35-20-6-4-5-18(14-20)26-23(29)16-9-11-19(12-10-16)28(33)34/h4-14,22H,3H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)