N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)pyridine-4-carboxamide

Systemtic Name: N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)pyridine-4-carboxamide Openeye Name: N-(5-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)pyridine-4-carboxamide CAS Name: N-(5-cyclopropyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-4-pyridinecarboxamide IUPAC Name: N-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)pyridine-4-carboxamide Traditional Name: N-(5-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)isonicotinamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=CC(=C3)NC(=O)C4=CC=NC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1CC1N2C3=C(C=CC(=C3)NC(=O)C4=CC=NC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C22H17N3O2S/c26-21(14-9-11-23-12-10-14)24-15-5-8-20-18(13-15)25(16-6-7-16)22(27)17-3-1-2-4-19(17)28-20/h1-5,8-13,16H,6-7H2,(H,24,26)