4-[[[2-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide

Systemtic Name: 4-[[[2-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide Openeye Name: 4-[[[2-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide CAS Name: 4-[[[[2-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: 4-[[[2-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]methyl]benzamide Traditional Name: 4-[[[2-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]methyl]benzamide Formula: C16H13ClF3N3OS MolecularWeight: 387.80713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)N)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)N)Cl)C(F)(F)F

InChI

InChI=1S/C16H13ClF3N3OS/c17-13-11(16(18,19)20)2-1-3-12(13)23-15(25)22-8-9-4-6-10(7-5-9)14(21)24/h1-7H,8H2,(H2,21,24)(H2,22,23,25)