7-chloranyl-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione

Systemtic Name: 7-chloranyl-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 7-chloro-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione CAS Name: 7-chloro-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 7-chloro-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 7-chloro-5-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-quinone Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC(C(=O)C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC(C(=O)C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23ClN2O3S/c1-23(2)11-4-12-24-17-13-15(22)7-10-18(17)28-20(19(25)21(24)26)14-5-8-16(27-3)9-6-14/h5-10,13,20H,4,11-12H2,1-3H3