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

Systemtic Name: butyl 4-[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(o-toluoylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4S/c1-4-5-17-34-28(33)21-13-15-22(16-14-21)29-26(31)20(3)35-24-11-8-10-23(18-24)30-27(32)25-12-7-6-9-19(25)2/h6-16,18,20H,4-5,17H2,1-3H3,(H,29,31)(H,30,32)