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

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19N3O4S2/c1-14-5-3-4-6-18(14)22(27)24-16-7-9-19-21(12-16)32-23(25-19)31-13-15-11-17(26(28)29)8-10-20(15)30-2/h3-12H,13H2,1-2H3,(H,24,27)