3-methyl-4-(4-phenylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(4-phenylsulfanylbutanoylamino)benzoic acid Openeye Name: 3-methyl-4-(4-phenylsulfanylbutanoylamino)benzoic acid CAS Name: 3-methyl-4-[[1-oxo-4-(phenylthio)butyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(4-phenylsulfanylbutanoylamino)benzoic acid Traditional Name: 3-methyl-4-[4-(phenylthio)butanoylamino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-13-12-14(18(21)22)9-10-16(13)19-17(20)8-5-11-23-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)(H,21,22)