N-(3-chloranyl-4-methyl-phenyl)-2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]acetamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-4-15-7-6-8-16(5-2)21(15)24-20(26)13-27-12-19(25)23-17-10-9-14(3)18(22)11-17/h6-11H,4-5,12-13H2,1-3H3,(H,23,25)(H,24,26)