2-fluoranyl-N-[4-[1-(4-piperidin-1-ylsulfonylphenyl)ethylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[1-(4-piperidin-1-ylsulfonylphenyl)ethylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[1-[4-(1-piperidylsulfonyl)phenyl]ethylcarbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[1-[4-(1-piperidinylsulfonyl)phenyl]ethylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[1-(4-piperidin-1-ylsulfonylphenyl)ethylcarbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[1-(4-piperidinosulfonylphenyl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C27H29FN4O3S2 MolecularWeight: 540.672563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN4O3S2/c1-19(20-9-15-23(16-10-20)37(34,35)32-17-5-2-6-18-32)29-27(36)31-22-13-11-21(12-14-22)30-26(33)24-7-3-4-8-25(24)28/h3-4,7-16,19H,2,5-6,17-18H2,1H3,(H,30,33)(H2,29,31,36)