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

Systemtic Name: butyl 4-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(o-toluoylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C29H32N2O4S/c1-4-6-18-35-29(34)21-14-16-22(17-15-21)30-28(33)26(5-2)36-24-12-9-11-23(19-24)31-27(32)25-13-8-7-10-20(25)3/h7-17,19,26H,4-6,18H2,1-3H3,(H,30,33)(H,31,32)