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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Formula: C19H15BrN2O3S MolecularWeight: 431.303

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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)Br)CC#C)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O3S/c1-4-7-22-16-6-5-13(20)10-17(16)26-19(22)21-18(23)12-8-14(24-2)11-15(9-12)25-3/h1,5-6,8-11H,7H2,2-3H3