methyl 6-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-(2-pyrrolidinobenzyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H31N3O2S/c1-22(20(26)21-13-7-3-4-12-19(24)25-2)16-17-10-5-6-11-18(17)23-14-8-9-15-23/h5-6,10-11H,3-4,7-9,12-16H2,1-2H3,(H,21,26)