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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)C(=O)OC

InChI

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