1-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]acetyl]nipecotic acid Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H31N3O4S/c1-15-7-5-11-20(16(15)2)27-22(29)18-9-3-4-10-19(18)25-24(27)32-14-21(28)26-12-6-8-17(13-26)23(30)31/h3-4,9-10,15-17,20H,5-8,11-14H2,1-2H3,(H,30,31)