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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3OC4=CC=CC=C4)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3OC4=CC=CC=C4)S2)CCSC

InChI

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