methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)N(C)C

InChI

InChI=1S/C20H25N5O3S2/c1-13-15(19(27)28-4)17(30-16(13)18(26)23(2)3)22-20(29)25-11-9-24(10-12-25)14-7-5-6-8-21-14/h5-8H,9-12H2,1-4H3,(H,22,29)