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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-1,4-benzothiazin-3-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c26-21(16-25-19-9-4-5-10-20(19)28-17-22(25)27)24-12-6-11-23(13-14-24)15-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2