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

Systemtic Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-cyclohexyl-1-piperazin-4-iumyl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H28N4O2S/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-11-25-20(27)17-8-4-5-9-18(17)22-21(25)28/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,22,28)/p+1