N-(2-chloranyl-4,6-dimethyl-phenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-N-[4-(isothiocyanatomethyl)thiazol-2-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-N-[4-(isothiocyanatomethyl)-2-thiazolyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-N-[4-(isothiocyanatomethyl)thiazol-2-yl]acetamide Formula: C15H14ClN3OS2 MolecularWeight: 351.87416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)CN=C=S)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)CN=C=S)C(=O)C)C

InChI

InChI=1S/C15H14ClN3OS2/c1-9-4-10(2)14(13(16)5-9)19(11(3)20)15-18-12(7-22-15)6-17-8-21/h4-5,7H,6H2,1-3H3