2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[2-(phenylthio)phenyl]acetamide Formula: C21H15N3O3S3 MolecularWeight: 453.5571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S3/c25-20(13-28-21-23-17-11-10-14(24(26)27)12-19(17)30-21)22-16-8-4-5-9-18(16)29-15-6-2-1-3-7-15/h1-12H,13H2,(H,22,25)