N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CS2)C

InChI

InChI=1S/C14H13N3O3S2/c1-8-5-6-10(17(19)20)12(9(8)2)15-14(21)16-13(18)11-4-3-7-22-11/h3-7H,1-2H3,(H2,15,16,18,21)