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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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