N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phthalimido-acetamide Formula: C22H16N4O4S MolecularWeight: 432.45184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

InChI

InChI=1S/C22H16N4O4S/c1-3-10-25-17-9-8-14(23-13(2)27)11-18(17)31-22(25)24-19(28)12-26-20(29)15-6-4-5-7-16(15)21(26)30/h1,4-9,11H,10,12H2,2H3,(H,23,27)