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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=N4

InChI

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