3-(butanoylamino)-4-(4-methylphenyl)sulfanyl-benzoic acid

Systemtic Name: 3-(butanoylamino)-4-(4-methylphenyl)sulfanyl-benzoic acid Openeye Name: 3-(butanoylamino)-4-(p-tolylsulfanyl)benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-4-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-butyramido-4-(p-tolylthio)benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C18H19NO3S/c1-3-4-17(20)19-15-11-13(18(21)22)7-10-16(15)23-14-8-5-12(2)6-9-14/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22)