N-[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-oxidanyl-propyl]carbamothioyl]-4-chloranyl-benzamide

Systemtic Name: N-[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-oxidanyl-propyl]carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxy-propyl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]amino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[(2R)-3-[2-(1-adamantyl)ethoxy]-2-hydroxy-propyl]thiocarbamoyl]-4-chloro-benzamide Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOCC(CNC(=S)NC(=O)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC[C@@H](CNC(=S)NC(=O)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H31ClN2O3S/c24-19-3-1-18(2-4-19)21(28)26-22(30)25-13-20(27)14-29-6-5-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17,20,27H,5-14H2,(H2,25,26,28,30)/t15?,16?,17?,20-,23?/m1/s1