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

Systemtic Name: methyl 6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[(4-morpholinophenyl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[[4-(4-morpholinyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-(4-morpholinobenzyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H31N3O3S/c1-22(20(27)21-11-5-3-4-6-19(24)25-2)16-17-7-9-18(10-8-17)23-12-14-26-15-13-23/h7-10H,3-6,11-16H2,1-2H3,(H,21,27)