N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propionamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S2/c1-3-21-16-9-4-13(22(24)25)12-17(16)28-19(21)20-18(23)10-11-27-15-7-5-14(26-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3