7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-cyclopentyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-cyclopentyl-2-thioxo-1H-quinazolin-4-one Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5CCCC5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5CCCC5

InChI

InChI=1S/C24H32N4O2S/c29-22(27-14-12-26(13-15-27)18-6-2-1-3-7-18)17-10-11-20-21(16-17)25-24(31)28(23(20)30)19-8-4-5-9-19/h10-11,16,18-19H,1-9,12-15H2,(H,25,31)/p+1