N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C21H27ClN2OS MolecularWeight: 390.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H27ClN2OS/c1-13(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20(26)24-19(25)9-14-2-4-18(22)5-3-14/h2-5,13,15-17H,6-12H2,1H3,(H2,23,24,25,26)/t13-,15?,16?,17?,21?/m1/s1