N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC)C

InChI

InChI=1S/C21H24N2O3S2/c1-13-6-7-15(10-14(13)2)20(24)22-21-23(8-9-27-5)16-11-17(25-3)18(26-4)12-19(16)28-21/h6-7,10-12H,8-9H2,1-5H3