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

Systemtic Name: 4,5-dimethyl-2-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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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)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N4O5S2/c1-8-9(2)27-15(13(8)14(17)22)19-16(26)18-12(21)7-25-11-5-3-10(4-6-11)20(23)24/h3-6H,7H2,1-2H3,(H2,17,22)(H2,18,19,21,26)