N-[5-butoxy-4-(4-methylphenyl)sulfanyl-2-oxidanyl-phenyl]-3-oxidanylidene-butanamide

Systemtic Name: N-[5-butoxy-4-(4-methylphenyl)sulfanyl-2-oxidanyl-phenyl]-3-oxidanylidene-butanamide Openeye Name: N-[5-butoxy-2-hydroxy-4-(p-tolylsulfanyl)phenyl]-3-oxo-butanamide CAS Name: N-[5-butoxy-2-hydroxy-4-[(4-methylphenyl)thio]phenyl]-3-oxobutanamide IUPAC Name: N-[5-butoxy-2-hydroxy-4-(4-methylphenyl)sulfanylphenyl]-3-oxobutanamide Traditional Name: N-[5-butoxy-2-hydroxy-4-(p-tolylthio)phenyl]-3-keto-butyramide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)NC(=O)CC(=O)C)O)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)NC(=O)CC(=O)C)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO4S/c1-4-5-10-26-19-12-17(22-21(25)11-15(3)23)18(24)13-20(19)27-16-8-6-14(2)7-9-16/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,22,25)