methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H29N5O5S2 MolecularWeight: 519.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C23H29N5O5S2/c1-5-25(6-2)21(29)19-15(3)18(22(30)33-4)20(35-19)24-23(34)27-13-11-26(12-14-27)16-7-9-17(10-8-16)28(31)32/h7-10H,5-6,11-14H2,1-4H3,(H,24,34)