3-chloranyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide Formula: C21H19ClN2OS3 MolecularWeight: 447.03636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC

InChI

InChI=1S/C21H19ClN2OS3/c1-3-13-8-9-15-17(12-13)28-21(24(15)10-11-26-2)23-20(25)19-18(22)14-6-4-5-7-16(14)27-19/h4-9,12H,3,10-11H2,1-2H3