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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H32N6O3S2 MolecularWeight: 492.65788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC)C

InChI

InChI=1S/C22H32N6O3S2/c1-7-28-15(3)16(12-23-28)13-26-8-10-27(11-9-26)22(32)24-19-17(21(30)31-6)14(2)18(33-19)20(29)25(4)5/h12H,7-11,13H2,1-6H3,(H,24,32)