4-methylsulfanyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-phenylpiperazine-1-carbonyl)amino]butyric acid Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3O3S/c1-23-12-7-14(15(20)21)17-16(22)19-10-8-18(9-11-19)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,22)(H,20,21)