6-(4-oxidanylidene-4-piperidin-1-yl-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one

Systemtic Name: 6-(4-oxidanylidene-4-piperidin-1-yl-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-[4-oxo-4-(1-piperidyl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[4-oxo-4-(1-piperidinyl)butyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-(4-oxo-4-piperidin-1-ylbutyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-(4-keto-4-piperidino-butyl)pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C21H23N3O2S/c25-19(23-13-4-1-5-14-23)11-7-15-24-17-9-2-3-10-18(17)27-20-16(21(24)26)8-6-12-22-20/h2-3,6,8-10,12H,1,4-5,7,11,13-15H2