[azanyl-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(3,4-dimethylphenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(3,4-dimethylphenyl)carbamothioyl]azanium Openeye Name: [amino-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(3,4-dimethylphenyl)carbamothioyl]ammonium CAS Name: [amino-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]methylidene]-[(3,4-dimethylanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(6-ethoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(3,4-dimethylphenyl)carbamothioyl]azanium Traditional Name: [amino-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(3,4-dimethylphenyl)thiocarbamoyl]ammonium Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC(=[NH+]C(=S)NC3=CC(=C(C=C3)C)C)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC(=[NH+]C(=S)NC3=CC(=C(C=C3)C)C)N

InChI

InChI=1S/C21H24N6OS/c1-5-28-16-8-9-18-17(11-16)14(4)23-20(25-18)26-19(22)27-21(29)24-15-7-6-12(2)13(3)10-15/h6-11H,5H2,1-4H3,(H4,22,23,24,25,26,27,29)/p+1