methyl 6-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(4-methylpiperidino)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-16-11-14-23(15-12-16)18-9-7-17(8-10-18)22-20(26)21-13-5-3-4-6-19(24)25-2/h7-10,16H,3-6,11-15H2,1-2H3,(H2,21,22,26)