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

Systemtic Name: methyl 5-ethyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S2/c1-6-15-11-16(19(26)27-5)18(29-15)21-20(28)25-9-7-24(8-10-25)12-17-13(2)22-23(4)14(17)3/h11H,6-10,12H2,1-5H3,(H,21,28)