3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C24H27ClN4O4S/c1-32-20-14-18-19(15-21(20)33-2)26-24(34)29(23(18)31)8-4-7-22(30)28-11-9-27(10-12-28)17-6-3-5-16(25)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,26,34)