3-[2-(4-aminophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(4-aminophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-(4-aminophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(4-aminophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-(4-aminophenyl)sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[(4-aminophenyl)thio]propanoylamino]-4-methyl-benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)N

InChI

InChI=1S/C17H18N2O3S/c1-10-3-4-12(17(21)22)9-15(10)19-16(20)11(2)23-14-7-5-13(18)6-8-14/h3-9,11H,18H2,1-2H3,(H,19,20)(H,21,22)