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

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C26H30ClN3O2S MolecularWeight: 484.0533

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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)N4CCC(CC4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC(CC4)C

InChI

InChI=1S/C26H30ClN3O2S/c1-4-18(3)19-5-8-21(9-6-19)30-25(32)22-10-7-20(27)15-23(22)28-26(30)33-16-24(31)29-13-11-17(2)12-14-29/h5-10,15,17-18H,4,11-14,16H2,1-3H3