[azanyl-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium Openeye Name: [amino-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-ethylphenyl)carbamothioyl]ammonium CAS Name: [amino-[(8-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-[(4-ethylanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(8-methoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium Traditional Name: [amino-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-ethylphenyl)thiocarbamoyl]ammonium Formula: C20H23N6OS+ MolecularWeight: 395.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=CC=C3OC)C(=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=CC=C3OC)C(=N2)C

InChI

InChI=1S/C20H22N6OS/c1-4-13-8-10-14(11-9-13)23-20(28)26-18(21)25-19-22-12(2)15-6-5-7-16(27-3)17(15)24-19/h5-11H,4H2,1-3H3,(H4,21,22,23,24,25,26,28)/p+1