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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-cyano-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-cyano-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-cyano-benzamide Formula: C20H14N4O2S MolecularWeight: 374.41576

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=C(C=C3)C#N)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O2S/c1-3-10-24-17-9-8-16(22-13(2)25)11-18(17)27-20(24)23-19(26)15-6-4-14(12-21)5-7-15/h1,4-9,11H,10H2,2H3,(H,22,25)