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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c20-15(17-9-11-4-2-1-3-5-11)10-23-16-18-13-7-6-12(19(21)22)8-14(13)24-16/h1-8H,9-10H2,(H,17,20)