ethyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H28N2O2S2 MolecularWeight: 440.62132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H28N2O2S2/c1-2-28-23(27)19-13-20(16-6-4-3-5-7-16)30-22(19)26-24(29)25-21-17-9-14-8-15(11-17)12-18(21)10-14/h3-7,13-15,17-18,21H,2,8-12H2,1H3,(H2,25,26,29)