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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N6O3S2 MolecularWeight: 448.56226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O3S2/c1-12-13(17(27)28-4)15(30-14(12)16(26)23(2)3)22-19(29)25-10-8-24(9-11-25)18-20-6-5-7-21-18/h5-7H,8-11H2,1-4H3,(H,22,29)