4,5-dimethyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C15H14N4O4S2 MolecularWeight: 378.42606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4S2/c1-7-8(2)25-14(11(7)12(16)20)18-15(24)17-13(21)9-4-3-5-10(6-9)19(22)23/h3-6H,1-2H3,(H2,16,20)(H2,17,18,21,24)