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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CC2=CC=CN2C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CC2=CC=CN2C)C(=O)N(C)C

InChI

InChI=1S/C18H23N5O4S2/c1-10-13(17(26)27-5)15(29-14(10)16(25)22(2)3)19-18(28)21-20-12(24)9-11-7-6-8-23(11)4/h6-8H,9H2,1-5H3,(H,20,24)(H2,19,21,28)