N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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