methyl 6-[(4-morpholin-4-ylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-morpholin-4-ylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-morpholinophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-morpholin-4-ylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-morpholinophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)N2CCOCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C18H27N3O3S/c1-23-17(22)5-3-2-4-10-19-18(25)20-15-6-8-16(9-7-15)21-11-13-24-14-12-21/h6-9H,2-5,10-14H2,1H3,(H2,19,20,25)