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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-methylpiperazino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H22N4O2S2 MolecularWeight: 342.48008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2S2/c1-9-10(2)22-12(11(9)13(19)20-4)15-14(21)16-18-7-5-17(3)6-8-18/h5-8H2,1-4H3,(H2,15,16,21)