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

Systemtic Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-5-24-12-15(14(3)21-24)11-22-6-8-23(9-7-22)19(27)20-17-16(18(25)26-4)10-13(2)28-17/h10,12H,5-9,11H2,1-4H3,(H,20,27)