N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-N-ethyl-ethanamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-N-ethyl-acetamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-[(2,5-dimethylphenyl)thio]-N-ethylacetamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-N-ethylacetamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-2-[(2,5-dimethylphenyl)thio]-N-ethyl-acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-4-25(20(26)12-28-18-9-13(2)5-6-14(18)3)11-19-23-17-10-15(22)7-8-16(17)21(27)24-19/h5-10H,4,11-12H2,1-3H3,(H,23,24,27)