3-(4-butan-2-ylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C27H33N3O2S/c1-5-20(4)21-10-12-22(13-11-21)30-26(32)23-8-6-7-9-24(23)28-27(30)33-17-25(31)29-15-18(2)14-19(3)16-29/h6-13,18-20H,5,14-17H2,1-4H3