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

Systemtic Name: 4-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(propanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(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=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

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

InChI

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