ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylmethylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O2S2 MolecularWeight: 468.67448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O2S2/c1-3-30-24(29)22-21(20-7-5-4-6-8-20)16(2)32-23(22)28-25(31)27-15-26-12-17-9-18(13-26)11-19(10-17)14-26/h4-8,17-19H,3,9-15H2,1-2H3,(H2,27,28,31)