3-phenylpropyl 5-[(2-fluorophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-fluorophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-fluorophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-fluorophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2-fluorophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2F

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C21H23FN2O3S/c22-17-11-4-5-12-18(17)23-21(28)24-19(25)13-6-14-20(26)27-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2,(H2,23,24,25,28)