N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Formula: C20H14N4O2S2 MolecularWeight: 406.48076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

InChI

InChI=1S/C20H14N4O2S2/c1-3-10-24-15-9-8-13(21-12(2)25)11-17(15)28-20(24)23-18(26)19-22-14-6-4-5-7-16(14)27-19/h1,4-9,11H,10H2,2H3,(H,21,25)