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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-oxo-2-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-keto-2-[4-(4-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=NC=C4

Isomeric SMILES

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

InChI

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