2-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H16ClN3O3S2/c1-8-9(2)25-15(13(8)14(18)22)20-16(24)19-12(21)7-23-11-5-3-10(17)4-6-11/h3-6H,7H2,1-2H3,(H2,18,22)(H2,19,20,21,24)