methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(dimethylamino)propylthiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H26N4O3S2 MolecularWeight: 386.53264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S2/c1-10-11(15(22)23-6)13(25-12(10)14(21)20(4)5)18-16(24)17-8-7-9-19(2)3/h7-9H2,1-6H3,(H2,17,18,24)