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

Systemtic Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(3-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=CC(=C2)NC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-6-15-30-24(29)18-11-13-19(14-12-18)26-23(28)17(3)31-21-10-7-9-20(16-21)25-22(27)8-5-2/h7,9-14,16-17H,4-6,8,15H2,1-3H3,(H,25,27)(H,26,28)