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

Systemtic Name: methyl 4,5-dimethyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-methyl-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-methyl-5-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(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

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