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

Systemtic Name: 2-(1-adamantyl)-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]acetamide Formula: C24H32ClN3OS MolecularWeight: 446.04838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H32ClN3OS/c25-20-11-19(4-5-21(20)28-6-2-1-3-7-28)26-23(30)27-22(29)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h4-5,11,16-18H,1-3,6-10,12-15H2,(H2,26,27,29,30)