butyl 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(4-butyramidophenyl)thio]propanoylamino]benzoic acid butyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-6-16-30-24(29)18-8-10-20(11-9-18)26-23(28)17(3)31-21-14-12-19(13-15-21)25-22(27)7-5-2/h8-15,17H,4-7,16H2,1-3H3,(H,25,27)(H,26,28)