N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-chloranyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-chloranyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-chloro-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-chloro-benzamide Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O2S/c1-3-10-23-16-9-8-15(21-12(2)24)11-17(16)26-19(23)22-18(25)13-4-6-14(20)7-5-13/h1,4-9,11H,10H2,2H3,(H,21,24)