3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]-5-methyl-benzoic acid

Systemtic Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]-5-methyl-benzoic acid Openeye Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]-5-methyl-benzoic acid CAS Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-mercapto-1-oxopropyl]amino]-5-methylbenzoic acid IUPAC Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanylpropanoyl]amino]-5-methylbenzoic acid Traditional Name: 3-[[2-[4-(dimethylamino)benzyl]-3-mercapto-propanoyl]amino]-5-methyl-benzoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)N(C)C)CS

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)N(C)C)CS

InChI

InChI=1S/C20H24N2O3S/c1-13-8-15(20(24)25)11-17(9-13)21-19(23)16(12-26)10-14-4-6-18(7-5-14)22(2)3/h4-9,11,16,26H,10,12H2,1-3H3,(H,21,23)(H,24,25)