3,4,5-triethoxy-N-[[4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C30H31F5N4O4S MolecularWeight: 638.648556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C30H31F5N4O4S/c1-4-41-20-15-17(16-21(42-5-2)28(20)43-6-3)29(40)37-30(44)36-18-7-9-19(10-8-18)38-11-13-39(14-12-38)27-25(34)23(32)22(31)24(33)26(27)35/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,36,37,40,44)