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

Systemtic Name: 5-[4-(azepan-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-(azepan-1-yl)-4-oxo-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[4-(1-azepanyl)-4-oxobutyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[4-(azepan-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-(azepan-1-yl)-4-keto-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H25N3O2S/c26-20(24-14-5-1-2-6-15-24)12-8-16-25-18-10-7-13-23-21(18)28-19-11-4-3-9-17(19)22(25)27/h3-4,7,9-11,13H,1-2,5-6,8,12,14-16H2