methyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC)C

InChI

InChI=1S/C25H27N3O4S/c1-16-12-17(2)14-19(13-16)28-23(30)20-6-4-5-7-21(20)26-25(28)33-15-22(29)27-10-8-18(9-11-27)24(31)32-3/h4-7,12-14,18H,8-11,15H2,1-3H3