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

Systemtic Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-[4-(2,6-dimethylphenyl)-1-piperazin-1-iumyl]ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-2-thioxo-quinazolin-4-olate Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)CCN3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC[NH+](CC2)CCN3C(=C4C=CC=CC4=NC3=S)[O-]

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/h3-9,27H,10-15H2,1-2H3