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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpiperazino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H29N5O3S2 MolecularWeight: 427.58456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC)C

InChI

InChI=1S/C18H29N5O3S2/c1-6-22(7-2)16(24)14-12(3)13(17(25)26-5)15(28-14)19-18(27)20-23-10-8-21(4)9-11-23/h6-11H2,1-5H3,(H2,19,20,27)