methyl 6-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(morpholinomethyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(morpholinomethyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)CN2CCOCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)CN2CCOCC2

InChI

InChI=1S/C19H29N3O3S/c1-24-18(23)5-3-2-4-10-20-19(26)21-17-8-6-16(7-9-17)15-22-11-13-25-14-12-22/h6-9H,2-5,10-15H2,1H3,(H2,20,21,26)