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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-besyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propionamide Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S3/c1-28-11-10-21-16-8-7-14(22(24)25)13-17(16)29-19(21)20-18(23)9-12-30(26,27)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3