N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(p-tolylthio)butyramide Formula: C23H28N2O2S3 MolecularWeight: 460.67562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)CCSC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)CCSC

InChI

InChI=1S/C23H28N2O2S3/c1-4-27-18-9-12-20-21(16-18)30-23(25(20)13-15-28-3)24-22(26)6-5-14-29-19-10-7-17(2)8-11-19/h7-12,16H,4-6,13-15H2,1-3H3