2-(1-methylbenzimidazol-2-yl)sulfanyl-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H21N3OS2/c1-14-11-12-23(17-9-5-6-10-18(17)26-14)19(24)13-25-20-21-15-7-3-4-8-16(15)22(20)2/h3-10,14H,11-13H2,1-2H3/t14-/m0/s1