N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]-2-propan-2-yl-phenoxy]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]-2-propan-2-yl-phenoxy]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-isopropyl-4-[(E)-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-but-2-enoyl]phenoxy]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-1,4-dioxobut-2-enyl]-2-propan-2-ylphenoxy]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobut-2-enoyl]-2-propan-2-ylphenoxy]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-isopropyl-4-[(E)-4-keto-4-[4-(4-methylpiperazino)piperidino]but-2-enoyl]phenoxy]acetamide Formula: C32H39N5O4S MolecularWeight: 589.74816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)C=CC(=O)N2CCC(CC2)N3CCN(CC3)C)ON(C4=NC5=CC=CC=C5S4)C(=O)C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)/C=C/C(=O)N2CCC(CC2)N3CCN(CC3)C)ON(C4=NC5=CC=CC=C5S4)C(=O)C

InChI

InChI=1S/C32H39N5O4S/c1-22(2)26-21-24(9-11-29(26)41-37(23(3)38)32-33-27-7-5-6-8-30(27)42-32)28(39)10-12-31(40)36-15-13-25(14-16-36)35-19-17-34(4)18-20-35/h5-12,21-22,25H,13-20H2,1-4H3/b12-10+