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

Systemtic Name: 6-bromanyl-3-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[6-[4-(2-furoyl)piperazino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H25BrN4O4S MolecularWeight: 533.438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H25BrN4O4S/c24-16-7-8-18-17(15-16)21(30)28(23(33)25-18)9-3-1-2-6-20(29)26-10-12-27(13-11-26)22(31)19-5-4-14-32-19/h4-5,7-8,14-15H,1-3,6,9-13H2,(H,25,33)