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

Systemtic Name: 3-[[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H37N4O2S+ MolecularWeight: 469.66258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H36N4O2S/c31-24(29-16-14-28(15-17-29)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-30-25(32)22-8-4-5-9-23(22)27-26(30)33/h4-5,8-9,19-21H,1-3,6-7,10-18H2,(H,27,33)/p+1