N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2,4-bis(chloranyl)phenoxy]ethanamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2,4-bis(chloranyl)phenoxy]ethanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide Formula: C20H15Cl2N3O3S MolecularWeight: 448.3224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=C(C=C(C=C3)Cl)Cl)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=C(C=C(C=C3)Cl)Cl)S2)CC#C

InChI

InChI=1S/C20H15Cl2N3O3S/c1-3-8-25-16-6-5-14(23-12(2)26)10-18(16)29-20(25)24-19(27)11-28-17-7-4-13(21)9-15(17)22/h1,4-7,9-10H,8,11H2,2H3,(H,23,26)