3-(3,5-dimethylphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H29N3O2S/c1-4-19-9-7-8-12-27(19)23(29)16-31-25-26-22-11-6-5-10-21(22)24(30)28(25)20-14-17(2)13-18(3)15-20/h5-6,10-11,13-15,19H,4,7-9,12,16H2,1-3H3