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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2OS/c1-13-11-14(19)7-8-15(13)20-18(22)12-21-9-4-10-23-17-6-3-2-5-16(17)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,22)