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

Systemtic Name: 6-bromanyl-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22BrClN4O2S MolecularWeight: 521.85768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H22BrClN4O2S/c23-15-6-7-19-18(13-15)21(30)28(22(31)25-19)8-2-5-20(29)27-11-9-26(10-12-27)17-4-1-3-16(24)14-17/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,25,31)