N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanylbenzamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=CC=C3)SC)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=CC=C3)SC)N2CC#C

InChI

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