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

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-perimidin-2-ylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(1H-perimidin-2-ylthio)ethanone Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C23H21N3OS2/c1-15-12-13-26(19-10-2-3-11-20(19)29-15)21(27)14-28-23-24-17-8-4-6-16-7-5-9-18(25-23)22(16)17/h2-11,15H,12-14H2,1H3,(H,24,25)/t15-/m0/s1