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

Systemtic Name: methyl 2-(cycloheptylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cycloheptylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cycloheptylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(cycloheptylthiocarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCCCCC2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCCCCC2)C(=O)N(C)C

InChI

InChI=1S/C18H27N3O3S2/c1-11-13(17(23)24-4)15(26-14(11)16(22)21(2)3)20-18(25)19-12-9-7-5-6-8-10-12/h12H,5-10H2,1-4H3,(H2,19,20,25)