6-bromanyl-3-[[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H30BrN4O2S+ MolecularWeight: 542.511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C26H29BrN4O2S/c27-20-10-11-23-22(16-20)25(33)31(26(34)28-23)17-18-6-8-19(9-7-18)24(32)30-14-12-29(13-15-30)21-4-2-1-3-5-21/h6-11,16,21H,1-5,12-15,17H2,(H,28,34)/p+1