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

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C16H15N5O6S2 MolecularWeight: 437.4502

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O6S2/c1-3-11-7(2)29-15(12(11)13(17)22)19-16(28)18-14(23)8-4-9(20(24)25)6-10(5-8)21(26)27/h4-6H,3H2,1-2H3,(H2,17,22)(H2,18,19,23,28)