butyl 4-[2-[4-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H27ClN2O4S MolecularWeight: 511.03228

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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(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C27H27ClN2O4S/c1-3-4-16-34-27(33)19-8-10-22(11-9-19)29-25(31)18(2)35-24-14-12-23(13-15-24)30-26(32)20-6-5-7-21(28)17-20/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,31)(H,30,32)