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

Systemtic Name: butyl 4-[2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(o-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=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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