N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propanamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propionamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

InChI

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