8-chloranyl-6-methyl-N-(2-morpholin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methyl-N-(2-morpholin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methyl-N-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methyl-N-[2-(4-morpholinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-methyl-N-(2-morpholin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-methyl-N-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-14-17-13-16(22)3-5-19(17)28-20-4-2-15(12-18(20)24-14)21(26)23-6-7-25-8-10-27-11-9-25/h2-5,12-13H,6-11H2,1H3,(H,23,26)