methyl 4-[[2-(4-fluorophenyl)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-fluorophenyl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-fluorophenyl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-fluorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-fluorophenyl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-fluorophenyl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H18FN3O3S MolecularWeight: 327.374423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CC1=CC=C(C=C1)F

InChI

InChI=1S/C14H18FN3O3S/c1-21-13(20)3-2-8-16-14(22)18-17-12(19)9-10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,19)(H2,16,18,22)