diethyl 5-[(4-ethylpiperazin-1-yl)carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-ethylpiperazin-1-yl)carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-ethylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethylpiperazine-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-ethylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C18H27N3O4S2/c1-5-20-8-10-21(11-9-20)18(26)19-15-13(16(22)24-6-2)12(4)14(27-15)17(23)25-7-3/h5-11H2,1-4H3,(H,19,26)