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

Systemtic Name: 6-bromanyl-3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-keto-4-[4-(4-methoxyphenyl)piperazino]butyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H25BrN4O3S MolecularWeight: 517.4386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C23H25BrN4O3S/c1-31-18-7-5-17(6-8-18)26-11-13-27(14-12-26)21(29)3-2-10-28-22(30)19-15-16(24)4-9-20(19)25-23(28)32/h4-9,15H,2-3,10-14H2,1H3,(H,25,32)