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

Systemtic Name: butyl 4-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(veratroylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C29H32N2O6S MolecularWeight: 536.63918

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O6S/c1-5-6-16-37-29(34)20-10-13-22(14-11-20)30-27(32)19(2)38-24-9-7-8-23(18-24)31-28(33)21-12-15-25(35-3)26(17-21)36-4/h7-15,17-19H,5-6,16H2,1-4H3,(H,30,32)(H,31,33)