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

Systemtic Name: methyl 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)C(=O)OC

InChI

InChI=1S/C18H25N5O2S2/c1-12-9-15(17(24)25-4)16(27-12)19-18(26)23-7-5-22(6-8-23)11-14-10-21(3)20-13(14)2/h9-10H,5-8,11H2,1-4H3,(H,19,26)