methyl 6-[[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[[4-(1-piperidyl)phenyl]methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-(4-piperidinobenzyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C21H33N3O2S/c1-23(21(27)22-14-6-3-5-9-20(25)26-2)17-18-10-12-19(13-11-18)24-15-7-4-8-16-24/h10-13H,3-9,14-17H2,1-2H3,(H,22,27)