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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(isopentylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(isoamylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C(=O)N(C)C

InChI

InChI=1S/C16H25N3O3S2/c1-9(2)7-8-17-16(23)18-13-11(15(21)22-6)10(3)12(24-13)14(20)19(4)5/h9H,7-8H2,1-6H3,(H2,17,18,23)