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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(hexanoylamino)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(hexanoylamino)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(hexanoylamino)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(caproylamino)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S2/c1-6-7-8-9-11(22)19-20-17(26)18-14-12(16(24)25-5)10(2)13(27-14)15(23)21(3)4/h6-9H2,1-5H3,(H,19,22)(H2,18,20,26)