methyl 2,4-dimethyl-5-[(propan-2-ylcarbamothioylamino)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(propan-2-ylcarbamothioylamino)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(isopropylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(propan-2-ylcarbamothioylamino)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(isopropylthiocarbamoylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=S)NC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=S)NC(C)C

InChI

InChI=1S/C13H20N4O3S/c1-6(2)14-13(21)17-16-11(18)10-7(3)9(8(4)15-10)12(19)20-5/h6,15H,1-5H3,(H,16,18)(H2,14,17,21)