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

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide Openeye Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide IUPAC Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide Traditional Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C24H22N2O3S2/c1-28-20-12-13-21-22(16-20)31-24(26(21)14-15-30-2)25-23(27)17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3