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

Systemtic Name: 4-butoxy-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H25N3O5S2/c1-3-4-13-34-21-9-5-17(6-10-21)25(30)27-19-7-11-22-24(15-19)36-26(28-22)35-16-18-14-20(29(31)32)8-12-23(18)33-2/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,27,30)