methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylpiperazino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H25N5O3S2 MolecularWeight: 399.5314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NN2CCN(CC2)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NN2CCN(CC2)C)C(=O)N(C)C

InChI

InChI=1S/C16H25N5O3S2/c1-10-11(15(23)24-5)13(26-12(10)14(22)19(2)3)17-16(25)18-21-8-6-20(4)7-9-21/h6-9H2,1-5H3,(H2,17,18,25)