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

Systemtic Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S2/c1-27-22(26)20-14-19(12-15-6-3-2-4-7-15)29-21(20)25-23(28)24-18-11-10-16-8-5-9-17(16)13-18/h2-4,6-7,10-11,13-14H,5,8-9,12H2,1H3,(H2,24,25,28)