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

Systemtic Name: 1-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotate Formula: C24H24N3O4S- MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)[O-])C

InChI

InChI=1S/C24H25N3O4S/c1-15-7-8-18(13-16(15)2)27-22(29)19-5-3-4-6-20(19)25-24(27)32-14-21(28)26-11-9-17(10-12-26)23(30)31/h3-8,13,17H,9-12,14H2,1-2H3,(H,30,31)/p-1