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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenoxy-propionamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S2/c1-27-12-10-21-16-8-7-14(22(24)25)13-17(16)28-19(21)20-18(23)9-11-26-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3