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

Systemtic Name: methyl 5-ethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-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:

CCC1=CC(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC

InChI

InChI=1S/C14H22N4O2S2/c1-4-10-9-11(13(19)20-3)12(22-10)15-14(21)16-18-7-5-17(2)6-8-18/h9H,4-8H2,1-3H3,(H2,15,16,21)