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

Systemtic Name: methyl 5-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylpiperazino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H20N4O2S2 MolecularWeight: 328.4535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC

InChI

InChI=1S/C13H20N4O2S2/c1-9-8-10(12(18)19-3)11(21-9)14-13(20)15-17-6-4-16(2)5-7-17/h8H,4-7H2,1-3H3,(H2,14,15,20)