methyl 6-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[3-(diethylcarbamoyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O3S/c1-4-22(5-2)18(24)15-10-9-11-16(14-15)21-19(26)20-13-8-6-7-12-17(23)25-3/h9-11,14H,4-8,12-13H2,1-3H3,(H2,20,21,26)