(4-cyclohexylpiperazin-4-ium-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Formula: C26H38N5OS+ MolecularWeight: 468.67782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CCC(CC3)CNC4=NC(=S)NC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CCC(CC3)CNC4=NC(=S)NC5=CC=CC=C54

InChI

InChI=1S/C26H37N5OS/c32-25(31-16-14-30(15-17-31)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-27-24-22-8-4-5-9-23(22)28-26(33)29-24/h4-5,8-9,19-21H,1-3,6-7,10-18H2,(H2,27,28,29,33)/p+1