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

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazolin-4-one Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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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)CC5CCCO5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5CCCO5

InChI

InChI=1S/C24H32N4O3S/c29-22(27-12-10-26(11-13-27)18-5-2-1-3-6-18)17-8-9-20-21(15-17)25-24(32)28(23(20)30)16-19-7-4-14-31-19/h8-9,15,18-19H,1-7,10-14,16H2,(H,25,32)/p+1