2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C23H31N3OS2 MolecularWeight: 429.64174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=C(N3C4CCCCC4)C)C

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=C(N3C4CCCCC4)C)C

InChI

InChI=1S/C23H31N3OS2/c1-16-13-14-25(20-11-7-8-12-21(20)29-16)22(27)15-28-23-24-17(2)18(3)26(23)19-9-5-4-6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3/t16-/m1/s1