N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide Traditional Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N2CCSC

InChI

InChI=1S/C25H24N2O2S2/c1-29-20-13-14-22-21(17-20)27(15-16-30-2)25(31-22)26-24(28)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23H,15-16H2,1-2H3