3-(3-bromanyl-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 3-(3-bromo-4-methoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C20H24BrClN2O2S MolecularWeight: 471.83876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)C3=CC(=C(C=C3)OC)Br.Cl

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)C3=CC(=C(C=C3)OC)Br.Cl

InChI

InChI=1S/C20H23BrN2O2S.ClH/c1-22(2)10-11-23-17-6-4-5-7-19(17)26-13-15(20(23)24)14-8-9-18(25-3)16(21)12-14;/h4-9,12,15H,10-11,13H2,1-3H3;1H