1-[[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[5-(p-tolylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[5-(p-tolylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]nipecotic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H18N4O4S/c1-10-4-6-12(7-5-10)18-13(22)14-19-20-15(26-14)16(23)21-8-2-3-11(9-21)17(24)25/h4-7,11H,2-3,8-9H2,1H3,(H,18,22)(H,24,25)