dimethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpiperazino)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S2/c1-9-10(13(20)22-3)12(25-11(9)14(21)23-4)16-15(24)17-19-7-5-18(2)6-8-19/h5-8H2,1-4H3,(H2,16,17,24)