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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C2CCNCC2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C2CCNCC2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN4O3S2/c1-18(19-6-12-22(13-7-19)37(34,35)23-14-16-29-17-15-23)30-27(36)32-21-10-8-20(9-11-21)31-26(33)24-4-2-3-5-25(24)28/h2-13,18,23,29H,14-17H2,1H3,(H,31,33)(H2,30,32,36)