N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-bis(chloranyl)benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-bis(chloranyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dichloro-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dichlorobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dichlorobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dichloro-benzamide Formula: C19H13Cl2N3O2S MolecularWeight: 418.29642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2N3O2S/c1-3-6-24-16-5-4-15(22-11(2)25)10-17(16)27-19(24)23-18(26)12-7-13(20)9-14(21)8-12/h1,4-5,7-10H,6H2,2H3,(H,22,25)