butyl 4-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2,6-dimethoxybenzoyl)amino]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=C(C=CC=C3OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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