methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(4-methyl-1-piperidyl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(4-methylpiperidino)phenyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H29N3O3S/c1-14-8-11-22(12-9-14)16-6-4-15(5-7-16)20-19(24)21-17(10-13-26-3)18(23)25-2/h4-7,14,17H,8-13H2,1-3H3,(H2,20,21,24)