2-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-methylpiperidino)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C18H26ClN3O3S MolecularWeight: 399.93534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CCSC)C(=O)O)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-12-5-8-22(9-6-12)16-4-3-13(11-14(16)19)20-18(25)21-15(17(23)24)7-10-26-2/h3-4,11-12,15H,5-10H2,1-2H3,(H,23,24)(H2,20,21,25)