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

Systemtic Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-N-mesityl-acetamide Formula: C16H17N3OS2 MolecularWeight: 331.45568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS2/c1-10-5-11(2)15(12(3)6-10)19(13(4)20)16-18-14(8-22-16)7-17-9-21/h5-6,8H,7H2,1-4H3