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

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3-o-cumenyl-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-17(2)19-10-5-7-13-22(19)28-24(30)20-11-4-6-12-21(20)26-25(28)31-16-23(29)27-14-8-9-18(3)15-27/h4-7,10-13,17-18H,8-9,14-16H2,1-3H3