3,5-dimethoxy-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,5-dimethoxy-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,5-dimethoxy-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,5-dimethoxy-N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3,5-dimethoxy-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,5-dimethoxy-N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC#C)OC

InChI

InChI=1S/C20H18N2O3S2/c1-5-8-22-17-7-6-16(26-4)12-18(17)27-20(22)21-19(23)13-9-14(24-2)11-15(10-13)25-3/h1,6-7,9-12H,8H2,2-4H3