2-(3-nitro-4-oxidanyl-phenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(3-nitro-4-oxidanyl-phenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H17N3O4S3 MolecularWeight: 471.57238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N3O4S3/c25-18-4-1-14(9-17(18)24(27)28)10-20(26)22-15-2-3-16-19(11-15)31-21(23-16)30-8-6-13-5-7-29-12-13/h1-5,7,9,11-12,25H,6,8,10H2,(H,22,26)