2-[aminocarbonyl(2-methylbutan-2-yl)carbamoyl]-6-(phenylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[aminocarbonyl(2-methylbutan-2-yl)carbamoyl]-6-(phenylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 6-benzylsulfanyl-2-[carbamoyl(1,1-dimethylpropyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[carbamoyl(2-methylbutan-2-yl)amino]-oxomethyl]-6-(phenylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 6-benzylsulfanyl-2-[carbamoyl(2-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid Traditional Name: 2-[tert-amyl(carbamoyl)carbamoyl]-6-(benzylthio)nicotinic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N(C(=O)C1=C(C=CC(=N1)SCC2=CC=CC=C2)C(=O)O)C(=O)N

Isomeric SMILES

CCC(C)(C)N(C(=O)C1=C(C=CC(=N1)SCC2=CC=CC=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C20H23N3O4S/c1-4-20(2,3)23(19(21)27)17(24)16-14(18(25)26)10-11-15(22-16)28-12-13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3,(H2,21,27)(H,25,26)