methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1-phenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C19H23N3O3S2/c1-11-14(18(24)25-5)16(27-15(11)17(23)22(3)4)21-19(26)20-12(2)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H2,20,21,26)