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

Systemtic Name: methyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H20N4O4S2/c1-12-11-15(17(23)26-2)16(28-12)19-18(27)21-9-7-20(8-10-21)13-3-5-14(6-4-13)22(24)25/h3-6,11H,7-10H2,1-2H3,(H,19,27)