N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-(benzenesulfonyl)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-besyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O5S3/c1-27-10-9-20-15-8-7-13(21(23)24)11-16(15)28-18(20)19-17(22)12-29(25,26)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3