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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide Traditional Name: 4-(4-methylpiperazino)-N-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]benzamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6OS/c1-19-5-8-22(16-24(19)30-27-31-25(18-35-27)21-4-3-11-28-17-21)29-26(34)20-6-9-23(10-7-20)33-14-12-32(2)13-15-33/h3-11,16-18H,12-15H2,1-2H3,(H,29,34)(H,30,31)