2-(1-adamantyl)-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]acetamide Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3OS/c1-17-4-2-3-9-28(17)22-7-5-21(6-8-22)26-24(30)27-23(29)16-25-13-18-10-19(14-25)12-20(11-18)15-25/h5-8,17-20H,2-4,9-16H2,1H3,(H2,26,27,29,30)