5-[2-(methylamino)ethyl]-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide

Systemtic Name: 5-[2-(methylamino)ethyl]-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Openeye Name: 3-hydroxy-5-[2-(methylamino)ethyl]-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide CAS Name: 3-hydroxy-5-[2-(methylamino)ethyl]-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide IUPAC Name: 3-hydroxy-5-[2-(methylamino)ethyl]-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Traditional Name: 3-hydroxy-5-[2-(methylamino)ethyl]-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Formula: C19H23BrN2O2S MolecularWeight: 423.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCNC)O.Br

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCNC)O.Br

InChI

InChI=1S/C19H22N2O2S.BrH/c1-13-7-9-14(10-8-13)18-17(22)19(23)21(12-11-20-2)15-5-3-4-6-16(15)24-18;/h3-10,17-18,20,22H,11-12H2,1-2H3;1H