N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(p-tolylthio)propionamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N3O3S2/c1-3-21-16-12-14(22(24)25)6-9-17(16)27-19(21)20-18(23)10-11-26-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3