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

Systemtic Name: 2-chloranyl-N-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-carbamothioyl]benzamide CAS Name: 2-chloro-N-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]benzamide Traditional Name: 2-chloro-N-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-ethyl-thiocarbamoyl]benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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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=CC=C2Cl

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-4-24(12-17(25)22-18-13(2)8-7-9-14(18)3)20(27)23-19(26)15-10-5-6-11-16(15)21/h5-11H,4,12H2,1-3H3,(H,22,25)(H,23,26,27)