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

Systemtic Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylmethylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2S2/c1-2-29-23(28)20-11-21(19-6-4-3-5-7-19)31-22(20)27-24(30)26-15-25-12-16-8-17(13-25)10-18(9-16)14-25/h3-7,11,16-18H,2,8-10,12-15H2,1H3,(H2,26,27,30)