2-[(2-fluorophenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-fluorophenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-fluorophenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-fluoroanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-fluorophenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-fluorophenyl)thiocarbamoyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H23FN5OS+ MolecularWeight: 400.492923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN5OS/c1-25(2)11-12-26(20(28)23-17-10-6-4-8-15(17)21)13-18-22-16-9-5-3-7-14(16)19(27)24-18/h3-10H,11-13H2,1-2H3,(H,23,28)(H,22,24,27)/p+1