(E)-N-(1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-4-oxidanylidene-N-[2-(2-propan-2-ylphenoxy)ethanoyl]but-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-4-oxidanylidene-N-[2-(2-propan-2-ylphenoxy)ethanoyl]but-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-N-[2-(2-isopropylphenoxy)acetyl]-4-(4-methylpiperazin-1-yl)-4-oxo-but-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-4-(4-methyl-1-piperazinyl)-4-oxo-N-[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]-2-butenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-4-oxo-N-[2-(2-propan-2-ylphenoxy)acetyl]but-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-N-[2-(2-isopropylphenoxy)acetyl]-4-keto-4-(4-methylpiperazino)but-2-enamide Formula: C27H30N4O4S MolecularWeight: 506.6165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)N(C2=NC3=CC=CC=C3S2)C(=O)C=CC(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)N(C2=NC3=CC=CC=C3S2)C(=O)/C=C/C(=O)N4CCN(CC4)C

InChI

InChI=1S/C27H30N4O4S/c1-19(2)20-8-4-6-10-22(20)35-18-26(34)31(27-28-21-9-5-7-11-23(21)36-27)25(33)13-12-24(32)30-16-14-29(3)15-17-30/h4-13,19H,14-18H2,1-3H3/b13-12+