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

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

Click to see the large picture

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=C3)C

Isomeric SMILES

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

InChI

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