methyl 5-(dimethylcarbamoyl)-2-(hexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(hexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(hexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(hexylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(hexylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(hexylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C17H27N3O3S2/c1-6-7-8-9-10-18-17(24)19-14-12(16(22)23-5)11(2)13(25-14)15(21)20(3)4/h6-10H2,1-5H3,(H2,18,19,24)