ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O2S2/c1-3-27-21(26)19-17-6-4-5-7-18(17)29-20(19)24-22(28)25(2)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-16H,3-13H2,1-2H3,(H,24,28)