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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-ethanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-acetamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-acetamide Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C20H17N3O2S/c1-3-11-23-17-10-9-16(21-14(2)24)13-18(17)26-20(23)22-19(25)12-15-7-5-4-6-8-15/h1,4-10,13H,11-12H2,2H3,(H,21,24)