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

Systemtic Name: 3-(3-chlorophenyl)-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxo-pentyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[5-[4-(4-methoxyphenyl)-1-piperazinyl]-5-oxopentyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[5-keto-5-[4-(4-methoxyphenyl)piperazino]pentyl]thio]quinazolin-4-one Formula: C30H31ClN4O3S MolecularWeight: 563.11014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H31ClN4O3S/c1-38-25-14-12-23(13-15-25)33-16-18-34(19-17-33)28(36)11-4-5-20-39-30-32-27-10-3-2-9-26(27)29(37)35(30)24-8-6-7-22(31)21-24/h2-3,6-10,12-15,21H,4-5,11,16-20H2,1H3