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

Systemtic Name: dimethyl 5-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S2/c1-6-26-14(3)15(11-22-26)12-24-7-9-25(10-8-24)21(31)23-18-16(19(27)29-4)13(2)17(32-18)20(28)30-5/h11H,6-10,12H2,1-5H3,(H,23,31)