3-chloranyl-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide Formula: C21H19ClN2O3S3 MolecularWeight: 479.03516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC)OC

InChI

InChI=1S/C21H19ClN2O3S3/c1-26-14-10-13-17(11-15(14)27-2)30-21(24(13)8-9-28-3)23-20(25)19-18(22)12-6-4-5-7-16(12)29-19/h4-7,10-11H,8-9H2,1-3H3