2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c1-15-11-12-24(18-9-5-6-10-19(18)28-15)20(26)14-27-21-23-17(13-25(21)22)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14,22H2,1H3