methyl 4-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(4-methylpiperidino)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H27N3O2S/c1-14-9-12-21(13-10-14)16-7-5-15(6-8-16)20-18(24)19-11-3-4-17(22)23-2/h5-8,14H,3-4,9-13H2,1-2H3,(H2,19,20,24)