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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-benzoyl-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-benzoylbenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-benzoylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-benzoyl-benzamide Formula: C26H19N3O3S MolecularWeight: 453.51236

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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)C(=O)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H19N3O3S/c1-3-15-29-22-14-13-21(27-17(2)30)16-23(22)33-26(29)28-25(32)20-11-9-19(10-12-20)24(31)18-7-5-4-6-8-18/h1,4-14,16H,15H2,2H3,(H,27,30)