N-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-ethyl-thiocarbamoyl]-4-methyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25N3O2S/c1-5-24(13-18(25)22-19-15(3)7-6-8-16(19)4)21(27)23-20(26)17-11-9-14(2)10-12-17/h6-12H,5,13H2,1-4H3,(H,22,25)(H,23,26,27)