N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2,6-dibromo-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2,6-dibromo-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C18H18Br2N2OS MolecularWeight: 470.22132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CN2CCCSC3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CN2CCCSC3=CC=CC=C32)Br

InChI

InChI=1S/C18H18Br2N2OS/c1-12-9-13(19)18(14(20)10-12)21-17(23)11-22-7-4-8-24-16-6-3-2-5-15(16)22/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,21,23)