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

Systemtic Name: methyl 4-[[4-(phenylcarbonyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[(4-benzoylpiperazine-1-carbothioyl)amino]butanoate CAS Name: 4-[[(4-benzoyl-1-piperazinyl)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-benzoylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 4-[(4-benzoylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S/c1-23-15(21)8-5-9-18-17(24)20-12-10-19(11-13-20)16(22)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,18,24)