N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)ethanamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[4-(methylthio)phenyl]acetamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[4-(methylthio)phenyl]acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CC3=CC=C(C=C3)SC)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CC3=CC=C(C=C3)SC)S2)CC#C)OC

InChI

InChI=1S/C21H20N2O3S2/c1-5-10-23-16-12-17(25-2)18(26-3)13-19(16)28-21(23)22-20(24)11-14-6-8-15(27-4)9-7-14/h1,6-9,12-13H,10-11H2,2-4H3