[azanyl-[(6-ethyl-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(6-ethyl-4-methyl-quinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium Openeye Name: [amino-[(6-ethyl-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-ethylphenyl)carbamothioyl]ammonium CAS Name: [amino-[(6-ethyl-4-methyl-2-quinazolinyl)amino]methylidene]-[(4-ethylanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(6-ethyl-4-methylquinazolin-2-yl)amino]methylidene]-[(4-ethylphenyl)carbamothioyl]azanium Traditional Name: [amino-[(6-ethyl-4-methyl-quinazolin-2-yl)amino]methylene]-[(4-ethylphenyl)thiocarbamoyl]ammonium Formula: C21H25N6S+ MolecularWeight: 393.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=C(C=C3)CC)C(=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)[NH+]=C(N)NC2=NC3=C(C=C(C=C3)CC)C(=N2)C

InChI

InChI=1S/C21H24N6S/c1-4-14-6-9-16(10-7-14)24-21(28)27-19(22)26-20-23-13(3)17-12-15(5-2)8-11-18(17)25-20/h6-12H,4-5H2,1-3H3,(H4,22,23,24,25,26,27,28)/p+1