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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)CC2=CC=CN2C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)CC2=CC=CN2C)C(=O)OC)C

InChI

InChI=1S/C20H27N5O4S2/c1-6-25(7-2)18(27)16-12(3)15(19(28)29-5)17(31-16)21-20(30)23-22-14(26)11-13-9-8-10-24(13)4/h8-10H,6-7,11H2,1-5H3,(H,22,26)(H2,21,23,30)