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

Systemtic Name: 2-fluoranyl-N-[4-[1-(1-methylpyrrol-2-yl)ethylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[1-(1-methylpyrrol-2-yl)ethylcarbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[1-(1-methyl-2-pyrrolyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[1-(1-methylpyrrol-2-yl)ethylcarbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[1-(1-methylpyrrol-2-yl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CN1C)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C1=CC=CN1C)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4OS/c1-14(19-8-5-13-26(19)2)23-21(28)25-16-11-9-15(10-12-16)24-20(27)17-6-3-4-7-18(17)22/h3-14H,1-2H3,(H,24,27)(H2,23,25,28)