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

Systemtic Name: butyl 4-[2-[4-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[(3-chlorobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H25ClN2O4S/c1-2-3-15-33-26(32)18-7-9-21(10-8-18)28-24(30)17-34-23-13-11-22(12-14-23)29-25(31)19-5-4-6-20(27)16-19/h4-14,16H,2-3,15,17H2,1H3,(H,28,30)(H,29,31)