methyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylmethylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H28N2O2S2 MolecularWeight: 440.62132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O2S2/c1-28-22(27)19-10-20(18-5-3-2-4-6-18)30-21(19)26-23(29)25-14-24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,10,15-17H,7-9,11-14H2,1H3,(H2,25,26,29)