N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2-(p-tolylthio)acetamide 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)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3O4S2/c1-3-27-11-10-22-17-12-15(23(25)26)6-9-18(17)29-20(22)21-19(24)13-28-16-7-4-14(2)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3