N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C20H20N4O2S2/c1-27-9-8-15(19-22-13-4-2-3-5-14(13)23-19)24-20(26)12-6-7-17-16(10-12)21-18(25)11-28-17/h2-7,10,15H,8-9,11H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t15-/m0/s1