4-decoxy-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-decoxy-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-decoxy-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-decoxy-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-decoxy-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-decoxy-N-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C31H35N3O4S2 MolecularWeight: 577.7573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H35N3O4S2/c1-2-3-4-5-6-7-8-9-20-38-27-17-12-24(13-18-27)30(35)32-25-14-19-28-29(21-25)40-31(33-28)39-22-23-10-15-26(16-11-23)34(36)37/h10-19,21H,2-9,20,22H2,1H3,(H,32,35)