methyl 5-(diethylcarbamoyl)-2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(indan-5-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(indan-5-ylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC)C

InChI

InChI=1S/C22H27N3O3S2/c1-5-25(6-2)20(26)18-13(3)17(21(27)28-4)19(30-18)24-22(29)23-16-11-10-14-8-7-9-15(14)12-16/h10-12H,5-9H2,1-4H3,(H2,23,24,29)