methyl 4-[(4-phenylpiperazin-1-yl)carbothioylamino]butanoate

Systemtic Name: methyl 4-[(4-phenylpiperazin-1-yl)carbothioylamino]butanoate Openeye Name: methyl 4-[(4-phenylpiperazine-1-carbothioyl)amino]butanoate CAS Name: 4-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 4-[(4-phenylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-21-15(20)8-5-9-17-16(22)19-12-10-18(11-13-19)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,22)