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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Formula: C25H19N3O3S MolecularWeight: 441.50166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H19N3O3S/c1-3-14-28-22-13-12-19(26-17(2)29)16-23(22)32-25(28)27-24(30)18-8-7-11-21(15-18)31-20-9-5-4-6-10-20/h1,4-13,15-16H,14H2,2H3,(H,26,29)