methyl 5-(dimethylcarbamoyl)-4-methyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(4-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NC=C2)C(=O)N(C)C

InChI

InChI=1S/C17H20N4O3S2/c1-10-12(16(23)24-4)14(26-13(10)15(22)21(2)3)20-17(25)19-9-11-5-7-18-8-6-11/h5-8H,9H2,1-4H3,(H2,19,20,25)