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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H28N2O2S2 MolecularWeight: 440.62132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O2S2/c1-26(24-12-15-8-16(13-24)10-17(9-15)14-24)23(29)25-21-19(22(27)28-2)11-20(30-21)18-6-4-3-5-7-18/h3-7,11,15-17H,8-10,12-14H2,1-2H3,(H,25,29)