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4-(pentanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(pentanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name:4-(pentanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
Openeye Name:4-(pentanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CAS Name:4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
IUPAC Name:4-(pentanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
Traditional Name:N-[3-(trifluoromethyl)phenyl]-4-(valerylthiocarbamoylamino)benzamide
Formula: C20H20F3N3O2S
MolecularWeight: 423.45191
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F


Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F


InChI

InChI=1S/C20H20F3N3O2S/c1-2-3-7-17(27)26-19(29)25-15-10-8-13(9-11-15)18(28)24-16-6-4-5-14(12-16)20(21,22)23/h4-6,8-12H,2-3,7H2,1H3,(H,24,28)(H2,25,26,27,29)


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