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

Systemtic Name: N-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-ethyl-thiocarbamoyl]-4-methoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-5-24(13-18(25)22-19-14(2)7-6-8-15(19)3)21(28)23-20(26)16-9-11-17(27-4)12-10-16/h6-12H,5,13H2,1-4H3,(H,22,25)(H,23,26,28)