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

Systemtic Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(3-butyramidophenyl)thio]butanoylamino]benzoic acid butyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-4-7-16-31-25(30)18-12-14-19(15-13-18)27-24(29)22(6-3)32-21-11-8-10-20(17-21)26-23(28)9-5-2/h8,10-15,17,22H,4-7,9,16H2,1-3H3,(H,26,28)(H,27,29)