N-[4-(diethylamino)-2-methyl-phenyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C25H25N3O2S/c1-4-28(5-2)18-11-12-20(16(3)14-18)26-24(29)17-10-13-23-21(15-17)27-25(30)19-8-6-7-9-22(19)31-23/h6-15H,4-5H2,1-3H3,(H,26,29)(H,27,30)