7-chloranyl-3-(2-methylpropyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methylpropyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methylpropyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-7-chloro-3-isobutyl-quinazolin-4-one Formula: C26H30ClN3O2S MolecularWeight: 484.0533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30ClN3O2S/c1-18(2)16-30-25(32)22-9-8-21(27)15-23(22)28-26(30)33-17-24(31)29-12-10-20(11-13-29)14-19-6-4-3-5-7-19/h3-9,15,18,20H,10-14,16-17H2,1-2H3