5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2SCC(C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2SCC(C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-22(2)13-6-14-23-19-7-4-5-8-20(19)26-15-18(21(23)24)16-9-11-17(25-3)12-10-16/h4-5,7-12,18H,6,13-15H2,1-3H3