2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-15-6-7-19-18(12-15)21(29)25(2)22(24-19)30-14-20(28)27-10-8-26(9-11-27)17-5-3-4-16(23)13-17/h3-7,12-13H,8-11,14H2,1-2H3