N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-benzamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-benzamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-benzamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxybenzamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxybenzamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxy-benzamide Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)N2CCSC

InChI

InChI=1S/C25H24N2O2S2/c1-17-14-22-23(15-18(17)2)31-25(27(22)12-13-30-3)26-24(28)19-8-7-11-21(16-19)29-20-9-5-4-6-10-20/h4-11,14-16H,12-13H2,1-3H3