3-(2-methylphenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

InChI=1S/C23H25N3O2S/c1-16-8-7-13-25(14-16)21(27)15-29-23-24-19-11-5-4-10-18(19)22(28)26(23)20-12-6-3-9-17(20)2/h3-6,9-12,16H,7-8,13-15H2,1-2H3