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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C)C

InChI

InChI=1S/C19H27N5O2S2/c1-12-14(3)28-17(16(12)18(25)26-5)21-19(27)24-8-6-23(7-9-24)11-15-10-20-22(4)13(15)2/h10H,6-9,11H2,1-5H3,(H,21,27)