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

Systemtic Name: 3-(3-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4O3S/c1-35-22-11-9-20(10-12-22)30-13-15-31(16-14-30)25(33)18-36-27-29-24-8-3-2-7-23(24)26(34)32(27)21-6-4-5-19(28)17-21/h2-12,17H,13-16,18H2,1H3