[4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

InChI

InChI=1S/C23H28N4OS/c1-5-16-10-9-11-17(6-2)22(16)26-21(28)15-29-23-18-12-7-8-13-19(18)24-20(25-23)14-27(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,26,28)/p+1