3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(3,4-dichlorophenyl)piperazino]-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22Cl2N4O2S MolecularWeight: 477.40668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H22Cl2N4O2S/c23-17-8-7-15(14-18(17)24)26-10-12-27(13-11-26)20(29)6-3-9-28-21(30)16-4-1-2-5-19(16)25-22(28)31/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,25,31)