methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(diethylamino)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(diethylamino)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-4-21(5-2)16-12-10-15(11-13-16)20-18(24)19-14-8-6-7-9-17(22)23-3/h10-13H,4-9,14H2,1-3H3,(H2,19,20,24)