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

Systemtic Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(indan-5-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(indan-5-ylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S2/c1-26-21(25)18-13-19(15-6-3-2-4-7-15)28-20(18)24-22(27)23-17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-13H,5,8-9H2,1H3,(H2,23,24,27)