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

Systemtic Name: 2-(4-nitrophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4-nitrophenyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-nitrophenyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-nitrophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-nitrophenyl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S3/c25-20(11-14-1-4-17(5-2-14)24(26)27)22-16-3-6-18-19(12-16)30-21(23-18)29-10-8-15-7-9-28-13-15/h1-7,9,12-13H,8,10-11H2,(H,22,25)