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

Systemtic Name: diethyl 5-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H31N5O4S2 MolecularWeight: 493.64264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

InChI

InChI=1S/C22H31N5O4S2/c1-6-30-20(28)17-14(3)18(21(29)31-7-2)33-19(17)23-22(32)27-10-8-26(9-11-27)13-16-12-25(5)24-15(16)4/h12H,6-11,13H2,1-5H3,(H,23,32)