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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenyl-propionamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c1-26-12-11-21-16-9-8-15(22(24)25)13-17(16)27-19(21)20-18(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,13H,7,10-12H2,1H3