5-[(4-methylphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-methylphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(morpholine-4-carbonyl)-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-methylphenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-methylphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-methylbenzyl)-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H24N2O3S/c1-18-6-8-19(9-7-18)17-28-22-16-20(25(29)27-12-14-31-15-13-27)10-11-24(22)32-23-5-3-2-4-21(23)26(28)30/h2-11,16H,12-15,17H2,1H3