(2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: (2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: (2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: (2S)-N-[4-(1-azepanyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: (2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: (2S)-N-[4-(azepan-1-yl)phenyl]-3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-15-21(26)24-19-14-16(6-11-20(19)28-15)22(27)23-17-7-9-18(10-8-17)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,27)(H,24,26)/t15-/m0/s1