methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C25H26N4O5S2/c1-5-28(6-2)23(30)21-15(3)20(24(31)34-4)22(36-21)27-25(35)26-17-13-11-16(12-14-17)18-9-7-8-10-19(18)29(32)33/h7-14H,5-6H2,1-4H3,(H2,26,27,35)