3-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(propionylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O2S/c1-2-15(25)24-17(27)23-13-7-3-5-11(9-13)16(26)22-14-8-4-6-12(10-14)18(19,20)21/h3-10H,2H2,1H3,(H,22,26)(H2,23,24,25,27)