methyl 4-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H24FN3O3S MolecularWeight: 381.464863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCCC(=O)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCCC(=O)OC)F

InChI

InChI=1S/C18H24FN3O3S/c1-13(23)14-5-6-16(15(19)12-14)21-8-10-22(11-9-21)18(26)20-7-3-4-17(24)25-2/h5-6,12H,3-4,7-11H2,1-2H3,(H,20,26)