4-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-3-nitro-benzamide Openeye Name: 4-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-3-nitro-benzamide CAS Name: 4-[(4H-3,1-benzothiazin-2-ylthio)methyl]-3-nitrobenzamide IUPAC Name: 4-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-3-nitrobenzamide Traditional Name: 4-[(4H-3,1-benzothiazin-2-ylthio)methyl]-3-nitro-benzamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(S1)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2N=C(S1)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c17-15(20)10-5-6-12(14(7-10)19(21)22)9-24-16-18-13-4-2-1-3-11(13)8-23-16/h1-7H,8-9H2,(H2,17,20)