N-[2-methyl-5-[[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide

Systemtic Name: N-[2-methyl-5-[[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide Openeye Name: N-[2-methyl-5-[[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(2-pyridylamino)thiazole-5-carboxamide CAS Name: N-[2-methyl-5-[oxo-[4-(1-piperazinylmethyl)-3-(trifluoromethyl)anilino]methyl]phenyl]-2-(2-pyridinylamino)-5-thiazolecarboxamide IUPAC Name: N-[2-methyl-5-[[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide Traditional Name: N-[2-methyl-5-[[4-(piperazinomethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(2-pyridylamino)thiazole-5-carboxamide Formula: C29H28F3N7O2S MolecularWeight: 595.63853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCNCC3)C(F)(F)F)NC(=O)C4=CN=C(S4)NC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCNCC3)C(F)(F)F)NC(=O)C4=CN=C(S4)NC5=CC=CC=N5

InChI

InChI=1S/C29H28F3N7O2S/c1-18-5-6-19(14-23(18)37-27(41)24-16-35-28(42-24)38-25-4-2-3-9-34-25)26(40)36-21-8-7-20(22(15-21)29(30,31)32)17-39-12-10-33-11-13-39/h2-9,14-16,33H,10-13,17H2,1H3,(H,36,40)(H,37,41)(H,34,35,38)