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

Systemtic Name: 6-bromanyl-3-[6-oxidanylidene-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[6-keto-6-(4-phenylpiperazino)hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C24H27BrN4O2S/c25-18-10-11-21-20(17-18)23(31)29(24(32)26-21)12-6-2-5-9-22(30)28-15-13-27(14-16-28)19-7-3-1-4-8-19/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16H2,(H,26,32)