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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]adamantane-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-adamantanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]adamantane-1-carboxamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-27-7-6-19(20-23-17-4-2-3-5-18(17)24-20)25-21(26)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16,19H,6-13H2,1H3,(H,23,24)(H,25,26)/t14?,15?,16?,19-,22?/m0/s1