ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-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)N(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O2S2/c1-4-30-24(29)22-21(20-8-6-5-7-9-20)16(2)32-23(22)27-25(31)28(3)26-13-17-10-18(14-26)12-19(11-17)15-26/h5-9,17-19H,4,10-15H2,1-3H3,(H,27,31)