N-[(2-morpholin-4-ylphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-morpholinophenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-morpholin-4-ylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-morpholinophenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O2S/c26-20(22-12-15-9-16(13-22)11-17(10-15)14-22)24-21(28)23-18-3-1-2-4-19(18)25-5-7-27-8-6-25/h1-4,15-17H,5-14H2,(H2,23,24,26,28)