N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-26-16-7-6-13(10-15(16)22(24)25)11-27-12-18(23)20-9-8-19-21-14-4-2-3-5-17(14)28-19/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)