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

Systemtic Name: butyl 4-[2-[4-[(3-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(m-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-3-4-16-33-27(32)20-8-10-22(11-9-20)28-25(30)18-34-24-14-12-23(13-15-24)29-26(31)21-7-5-6-19(2)17-21/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,30)(H,29,31)