ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-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)N(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2S2/c1-3-29-23(28)20-12-21(19-7-5-4-6-8-19)31-22(20)26-24(30)27(2)25-13-16-9-17(14-25)11-18(10-16)15-25/h4-8,12,16-18H,3,9-11,13-15H2,1-2H3,(H,26,30)