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

Systemtic Name: methyl 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1-ethyl-5-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)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S2/c1-6-25-14(3)16(11-21-25)12-23-7-9-24(10-8-23)20(28)22-18-17(19(26)27-5)13(2)15(4)29-18/h11H,6-10,12H2,1-5H3,(H,22,28)