N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(2-bromo-4,6-difluoro-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C20H21BrF2N2O4S MolecularWeight: 503.357546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2Br)F)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C20H21BrF2N2O4S/c1-4-27-15-7-11(8-16(28-5-2)18(15)29-6-3)19(26)25-20(30)24-17-13(21)9-12(22)10-14(17)23/h7-10H,4-6H2,1-3H3,(H2,24,25,26,30)