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

Systemtic Name: butyl 4-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(veratroylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C30H34N2O6S MolecularWeight: 550.66576

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O6S/c1-5-7-17-38-30(35)20-11-14-22(15-12-20)31-29(34)27(6-2)39-24-10-8-9-23(19-24)32-28(33)21-13-16-25(36-3)26(18-21)37-4/h8-16,18-19,27H,5-7,17H2,1-4H3,(H,31,34)(H,32,33)