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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S2/c26-21(14-29-22-24-19-11-10-17(25(27)28)13-20(19)30-22)23-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,26)