N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-chloro-adamantane-1-carboxamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H28ClN3OS/c1-28-7-6-18(19-24-16-4-2-3-5-17(16)25-19)26-20(27)21-9-14-8-15(10-21)12-22(23,11-14)13-21/h2-5,14-15,18H,6-13H2,1H3,(H,24,25)(H,26,27)/t14?,15?,18-,21?,22?/m0/s1