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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S2/c1-31-15-14-26-20-13-12-19(27(29)30)16-21(20)32-24(26)25-23(28)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,22H,14-15H2,1H3