[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C22H25FN2O4S MolecularWeight: 432.508303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25FN2O4S/c1-3-19(21(27)24-17-11-9-16(23)10-12-17)29-22(28)18(13-14-30-2)25-20(26)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3,(H,24,27)(H,25,26)