ethyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)ethylthiocarbamoylamino]-5-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(=C1)C2=CC=CC=C2)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

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