1-[2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetyl]isonipecotamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H23ClN4O3S/c1-14-4-2-3-5-19(14)28-22(31)17-7-6-16(24)12-18(17)26-23(28)32-13-20(29)27-10-8-15(9-11-27)21(25)30/h2-7,12,15H,8-11,13H2,1H3,(H2,25,30)