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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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