N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-cyclohexyl-propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-cyclohexyl-propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-cyclohexylpropanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclohexylpropanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-cyclohexyl-propionamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3CCCCC3

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C20H29N3OS/c1-25-14-13-18(20-22-16-9-5-6-10-17(16)23-20)21-19(24)12-11-15-7-3-2-4-8-15/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1