methyl (2R)-4-methylsulfanyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoate

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(4-phenylpiperazine-1-carbonyl)amino]butyric acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3S/c1-23-16(21)15(8-13-24-2)18-17(22)20-11-9-19(10-12-20)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,22)/t15-/m1/s1