4,5-dimethyl-2-(3-methylbutanoylcarbamothioylamino)thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-(3-methylbutanoylcarbamothioylamino)thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-(3-methylbutanoylcarbamothioylamino)thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-(3-methylbutanoylcarbamothioylamino)thiophene-3-carboxamide Traditional Name: 2-(isovalerylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C13H19N3O2S2/c1-6(2)5-9(17)15-13(19)16-12-10(11(14)18)7(3)8(4)20-12/h6H,5H2,1-4H3,(H2,14,18)(H2,15,16,17,19)