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

Systemtic Name: 2-(3-nitro-4-oxidanyl-phenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S3/c1-12(2)28-7-8-29-20-22-15-5-4-14(11-18(15)30-20)21-19(25)10-13-3-6-17(24)16(9-13)23(26)27/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,21,25)