2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-hydroxy-5-nitro-benzyl)acetamide Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O4S2/c20-13-6-5-11(19(22)23)7-10(13)8-17-15(21)9-24-16-18-12-3-1-2-4-14(12)25-16/h1-7,20H,8-9H2,(H,17,21)