(2R)-1-(azepan-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)S[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N3OS/c1-12-7-8-14-15(11-12)19-17(18-14)22-13(2)16(21)20-9-5-3-4-6-10-20/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m1/s1