[azanyl-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-[(2,4-dimethylphenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-[(2,4-dimethylphenyl)carbamothioyl]azanium Openeye Name: [amino-[(4,6-dimethylquinazolin-2-yl)amino]methylene]-[(2,4-dimethylphenyl)carbamothioyl]ammonium CAS Name: [amino-[(4,6-dimethyl-2-quinazolinyl)amino]methylidene]-[(2,4-dimethylanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-[(2,4-dimethylphenyl)carbamothioyl]azanium Traditional Name: [amino-[(4,6-dimethylquinazolin-2-yl)amino]methylene]-[(2,4-dimethylphenyl)thiocarbamoyl]ammonium Formula: C20H23N6S+ MolecularWeight: 379.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=C(C=C3)C)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=C(C=C3)C)C(=N2)C)C

InChI

InChI=1S/C20H22N6S/c1-11-5-7-16(13(3)9-11)24-20(27)26-18(21)25-19-22-14(4)15-10-12(2)6-8-17(15)23-19/h5-10H,1-4H3,(H4,21,22,23,24,25,26,27)/p+1