N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-methyl-2-quinoxalinyl)thio]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[(3-methylquinoxalin-2-yl)thio]propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C22H24N4O2S/c1-13-8-7-9-14(2)20(13)26-19(27)12-23-21(28)16(4)29-22-15(3)24-17-10-5-6-11-18(17)25-22/h5-11,16H,12H2,1-4H3,(H,23,28)(H,26,27)