methyl 4-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-14(22)15-5-7-16(8-6-15)20-10-12-21(13-11-20)18(25)19-9-3-4-17(23)24-2/h5-8H,3-4,9-13H2,1-2H3,(H,19,25)