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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfanyl-benzamide Openeye Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfanyl-benzamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(ethylthio)benzamide IUPAC Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-ethylsulfanylbenzamide Traditional Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(ethylthio)benzamide Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS3/c1-4-15-9-10-18-19(13-15)27-21(23(18)11-12-25-3)22-20(24)16-7-6-8-17(14-16)26-5-2/h6-10,13-14H,4-5,11-12H2,1-3H3