N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=CN2C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=CN2C

InChI

InChI=1S/C17H22N4O2S/c1-11-6-5-7-12(2)15(11)20-14(22)10-19-16(23)13(3)24-17-18-8-9-21(17)4/h5-9,13H,10H2,1-4H3,(H,19,23)(H,20,22)