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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenyl-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-phenyl-benzamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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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)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)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H19N3O2S/c1-3-15-28-22-14-13-21(26-17(2)29)16-23(22)31-25(28)27-24(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h1,4-14,16H,15H2,2H3,(H,26,29)