3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C27H32ClN3O2S MolecularWeight: 498.07988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4C(CCCC4C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4C(CCCC4C)C

InChI

InChI=1S/C27H32ClN3O2S/c1-5-17(2)20-9-12-22(13-10-20)31-26(33)23-14-11-21(28)15-24(23)29-27(31)34-16-25(32)30-18(3)7-6-8-19(30)4/h9-15,17-19H,5-8,16H2,1-4H3