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

Systemtic Name: N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S2/c1-2-11-21-16-9-8-14(22(24)25)13-17(16)28-19(21)20-18(23)10-12-29(26,27)15-6-4-3-5-7-15/h3-9,13H,2,10-12H2,1H3