3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(2,6-dimethylphenyl)-1-piperazin-1-iumyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H26N4OS/c1-16-6-5-7-17(2)20(16)25-13-10-24(11-14-25)12-15-26-21(27)18-8-3-4-9-19(18)23-22(26)28/h3-9H,10-15H2,1-2H3,(H,23,28)/p+1