2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methyl-propan-1-one

Systemtic Name: 2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methyl-propan-1-one Openeye Name: 2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methyl-propan-1-one CAS Name: 2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methyl-1-propanone IUPAC Name: 2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methylpropan-1-one Traditional Name: 2-(dimethylamino)-1-(4-isothiocyanatophenyl)-2-methyl-propan-1-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)N=C=S)N(C)C

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)N=C=S)N(C)C

InChI

InChI=1S/C13H16N2OS/c1-13(2,15(3)4)12(16)10-5-7-11(8-6-10)14-9-17/h5-8H,1-4H3