2-(1-adamantyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]acetamide Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H30ClN3O2S/c24-19-10-18(1-2-20(19)27-3-5-29-6-4-27)25-22(30)26-21(28)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2,(H2,25,26,28,30)