methyl 5-(dimethylcarbamoyl)-2-(heptan-2-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(heptan-2-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-methylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(heptan-2-ylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1-methylhexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-7-8-9-10-11(2)19-18(25)20-15-13(17(23)24-6)12(3)14(26-15)16(22)21(4)5/h11H,7-10H2,1-6H3,(H2,19,20,25)