4-[[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanylacetyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1-oxoethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]acetyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CSCC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CSCC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C20H22FN3O3S/c1-22-20(27)15-9-7-14(8-10-15)11-24(2)19(26)13-28-12-18(25)23-17-6-4-3-5-16(17)21/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)