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

Systemtic Name: diethyl 5-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H33N5O4S2 MolecularWeight: 507.66922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C23H33N5O4S2/c1-6-28-14-17(16(5)25-28)13-26-9-11-27(12-10-26)23(33)24-20-18(21(29)31-7-2)15(4)19(34-20)22(30)32-8-3/h14H,6-13H2,1-5H3,(H,24,33)