N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-benzoyl-N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-benzoyl-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-benzoyl-N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C25H22N2O3S2/c1-30-20-12-13-21-22(16-20)32-25(27(21)14-15-31-2)26-24(29)19-10-8-18(9-11-19)23(28)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3