N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19BrN2O3S/c1-22(11-13-9-14(20)4-5-16(13)25-2)19(24)12-3-6-17-15(10-12)21-18(23)7-8-26-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)