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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S2/c1-24(22-10-13-7-14(11-22)9-15(8-13)12-22)21(27)23-19-18(20(25)26-2)16-5-3-4-6-17(16)28-19/h13-15H,3-12H2,1-2H3,(H,23,27)