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

Systemtic Name: 6-bromanyl-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-keto-4-(4-phenylpiperazino)butyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2S/c23-16-8-9-19-18(15-16)21(29)27(22(30)24-19)10-4-7-20(28)26-13-11-25(12-14-26)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,24,30)