N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O4S2/c1-10(21)18-12-3-5-14-16(8-12)26-17(19-14)25-9-11-7-13(20(22)23)4-6-15(11)24-2/h3-8H,9H2,1-2H3,(H,18,21)