methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pentanoylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pentanoylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pentanoylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(1-oxopentylhydrazo)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pentanoylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(valerylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCCCC(=O)NNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C16H24N4O4S2/c1-6-7-8-10(21)18-19-16(25)17-13-11(15(23)24-5)9(2)12(26-13)14(22)20(3)4/h6-8H2,1-5H3,(H,18,21)(H2,17,19,25)