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

Systemtic Name: butyl 4-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-[(4-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O6S/c1-3-4-17-36-27(33)20-5-9-21(10-6-20)28-25(31)18(2)37-24-15-11-22(12-16-24)29-26(32)19-7-13-23(14-8-19)30(34)35/h5-16,18H,3-4,17H2,1-2H3,(H,28,31)(H,29,32)