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

Systemtic Name: 6-chloranyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-6-chloro-4H-1,4-benzothiazin-3-one CAS Name: 6-chloro-2-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-6-chloro-4H-1,4-benzothiazin-3-one Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O2S/c23-17-7-8-19-18(13-17)24-22(28)20(29-19)14-21(27)26-10-4-9-25(11-12-26)15-16-5-2-1-3-6-16/h1-3,5-8,13,20H,4,9-12,14-15H2,(H,24,28)