methyl 4,5-dimethyl-2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-methyl-3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H17N3O4S2/c1-8-10(3)25-14(13(8)15(20)23-4)18-16(24)17-11-6-5-7-12(9(11)2)19(21)22/h5-7H,1-4H3,(H2,17,18,24)