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

Systemtic Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[3-[(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)CCSC2=CC=C(C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCSC2=CC=C(C=C2)N

InChI

InChI=1S/C17H18N2O3S/c1-11-2-3-12(17(21)22)10-15(11)19-16(20)8-9-23-14-6-4-13(18)5-7-14/h2-7,10H,8-9,18H2,1H3,(H,19,20)(H,21,22)