N-[5-[2-[4-azanyl-2-(2-pyridin-4-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-methoxy-benzamide

Systemtic Name: N-[5-[2-[4-azanyl-2-(2-pyridin-4-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-methoxy-benzamide Openeye Name: N-[5-[2-[4-amino-2-[2-(4-pyridyl)ethylcarbamoylamino]thiazol-5-yl]thiazol-4-yl]-2,4-difluoro-phenyl]-3-methoxy-benzamide CAS Name: N-[5-[2-[4-amino-2-[[oxo-(2-pyridin-4-ylethylamino)methyl]amino]-5-thiazolyl]-4-thiazolyl]-2,4-difluorophenyl]-3-methoxybenzamide IUPAC Name: N-[5-[2-[4-amino-2-(2-pyridin-4-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide Traditional Name: N-[5-[2-[4-amino-2-[2-(4-pyridyl)ethylcarbamoylamino]thiazol-5-yl]thiazol-4-yl]-2,4-difluoro-phenyl]-3-methoxy-benzamide Formula: C28H23F2N7O3S2 MolecularWeight: 607.654126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C(=C2)C3=CSC(=N3)C4=C(N=C(S4)NC(=O)NCCC5=CC=NC=C5)N)F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C(=C2)C3=CSC(=N3)C4=C(N=C(S4)NC(=O)NCCC5=CC=NC=C5)N)F)F

InChI

InChI=1S/C28H23F2N7O3S2/c1-40-17-4-2-3-16(11-17)25(38)34-21-12-18(19(29)13-20(21)30)22-14-41-26(35-22)23-24(31)36-28(42-23)37-27(39)33-10-7-15-5-8-32-9-6-15/h2-6,8-9,11-14H,7,10,31H2,1H3,(H,34,38)(H2,33,36,37,39)