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

Systemtic Name: 3-[2-(4-aminophenyl)sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(4-aminophenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(4-aminophenyl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)N

InChI

InChI=1S/C16H16N2O3S/c1-10-2-3-11(16(20)21)8-14(10)18-15(19)9-22-13-6-4-12(17)5-7-13/h2-8H,9,17H2,1H3,(H,18,19)(H,20,21)