3-(3-chlorophenyl)-2-[5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-[5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[5-[4-(o-tolyl)piperazin-1-yl]-5-oxo-pentyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[5-[4-(2-methylphenyl)-1-piperazinyl]-5-oxopentyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxopentyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[5-keto-5-[4-(o-tolyl)piperazino]pentyl]thio]quinazolin-4-one Formula: C30H31ClN4O2S MolecularWeight: 547.11074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H31ClN4O2S/c1-22-9-2-5-14-27(22)33-16-18-34(19-17-33)28(36)15-6-7-20-38-30-32-26-13-4-3-12-25(26)29(37)35(30)24-11-8-10-23(31)21-24/h2-5,8-14,21H,6-7,15-20H2,1H3