4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(3-chloro-4-fluoro-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(3-chloro-4-fluorophenyl)carbamothioyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[(3-chloro-4-fluoro-phenyl)thiocarbamoyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C17H17ClFN3OS MolecularWeight: 365.852783

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H17ClFN3OS/c1-20-16(23)12-5-3-11(4-6-12)10-22(2)17(24)21-13-7-8-15(19)14(18)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)