2-fluoranyl-N-[4-[1-[1-(4-methylphenyl)sulfonylindol-2-yl]ethylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[1-[1-(4-methylphenyl)sulfonylindol-2-yl]ethylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[1-[1-(p-tolylsulfonyl)indol-2-yl]ethylcarbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[1-[1-(4-methylphenyl)sulfonyl-2-indolyl]ethylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[1-[1-(4-methylphenyl)sulfonylindol-2-yl]ethylcarbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[1-(1-tosylindol-2-yl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C31H27FN4O3S2 MolecularWeight: 586.699483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C)NC(=S)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C)NC(=S)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C31H27FN4O3S2/c1-20-11-17-25(18-12-20)41(38,39)36-28-10-6-3-7-22(28)19-29(36)21(2)33-31(40)35-24-15-13-23(14-16-24)34-30(37)26-8-4-5-9-27(26)32/h3-19,21H,1-2H3,(H,34,37)(H2,33,35,40)