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

Systemtic Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-mercapto-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-[4-(dimethylamino)benzyl]-3-mercapto-propanoyl]amino]benzoic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H22N2O3S/c1-21(2)17-8-6-13(7-9-17)10-15(12-25)18(22)20-16-5-3-4-14(11-16)19(23)24/h3-9,11,15,25H,10,12H2,1-2H3,(H,20,22)(H,23,24)