N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C21H22ClF3N2O4S MolecularWeight: 490.92359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C21H22ClF3N2O4S/c1-4-29-16-9-12(10-17(30-5-2)18(16)31-6-3)19(28)27-20(32)26-15-8-7-13(22)11-14(15)21(23,24)25/h7-11H,4-6H2,1-3H3,(H2,26,27,28,32)