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

Systemtic Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(indan-5-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(indan-5-ylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)N(C)C

InChI

InChI=1S/C20H23N3O3S2/c1-11-15(19(25)26-4)17(28-16(11)18(24)23(2)3)22-20(27)21-14-9-8-12-6-5-7-13(12)10-14/h8-10H,5-7H2,1-4H3,(H2,21,22,27)