ethyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(indan-5-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(indan-5-ylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C24H24N2O2S2/c1-2-28-23(27)21-15-20(13-16-7-4-3-5-8-16)30-22(21)26-24(29)25-19-12-11-17-9-6-10-18(17)14-19/h3-5,7-8,11-12,14-15H,2,6,9-10,13H2,1H3,(H2,25,26,29)