4-ethyl-5-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N4O4S2/c1-3-11-8(2)26-15(12(11)13(17)21)19-16(25)18-14(22)9-5-4-6-10(7-9)20(23)24/h4-7H,3H2,1-2H3,(H2,17,21)(H2,18,19,22,25)