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

Systemtic Name: 4-methylsulfanyl-2-[[4-(2-phenylethenyl)piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-styrylpiperazine-1-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(2-phenylethenyl)-1-piperazinyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(2-phenylethenyl)piperazine-1-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-styrylpiperazine-1-carbonyl)amino]butyric acid Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C=CC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-25-14-8-16(17(22)23)19-18(24)21-12-10-20(11-13-21)9-7-15-5-3-2-4-6-15/h2-7,9,16H,8,10-14H2,1H3,(H,19,24)(H,22,23)