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

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanyl-propanamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propanamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(phenylthio)propionamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S2/c1-2-27-12-11-22-17-14-15(23(25)26)8-9-18(17)29-20(22)21-19(24)10-13-28-16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3