N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-besyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-2-10-20-15-9-8-13(21(23)24)11-16(15)27-18(20)19-17(22)12-28(25,26)14-6-4-3-5-7-14/h3-9,11H,2,10,12H2,1H3