4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(2-pyridyl)thiazol-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(2-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(2-pyridyl)thiazol-2-yl]amino]phenyl]benzamide Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N6OS/c1-20-6-11-23(17-25(20)31-28-32-26(19-36-28)24-5-3-4-12-29-24)30-27(35)22-9-7-21(8-10-22)18-34-15-13-33(2)14-16-34/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,35)(H,31,32)