2-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione

Systemtic Name: 2-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 5-(2-morpholinoethyl)-2-(p-tolyl)-1,5-benzothiazepine-3,4-dione CAS Name: 2-(4-methylphenyl)-5-[2-(4-morpholinyl)ethyl]-1,5-benzothiazepine-3,4-dione IUPAC Name: 2-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 5-(2-morpholinoethyl)-2-(p-tolyl)-1,5-benzothiazepine-3,4-quinone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCN4CCOCC4

InChI

InChI=1S/C22H24N2O3S/c1-16-6-8-17(9-7-16)21-20(25)22(26)24(11-10-23-12-14-27-15-13-23)18-4-2-3-5-19(18)28-21/h2-9,21H,10-15H2,1H3