4-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-oxo-2-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-keto-2-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-20(15-25-18-6-1-2-7-19(18)28-16-21(25)27)24-10-4-9-23(11-12-24)14-17-5-3-8-22-13-17/h1-3,5-8,13H,4,9-12,14-16H2