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

Systemtic Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S2/c1-6-25-12-16(14(3)22-25)11-23-7-9-24(10-8-23)20(28)21-18-17(19(26)27-5)13(2)15(4)29-18/h12H,6-11H2,1-5H3,(H,21,28)