methyl 6-[[4-(dimethylaminomethyl)phenyl]methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(dimethylaminomethyl)phenyl]methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(dimethylaminomethyl)phenyl]methylcarbamothioylamino]hexanoate CAS Name: 6-[[[[4-(dimethylaminomethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(dimethylaminomethyl)phenyl]methylcarbamothioylamino]hexanoate Traditional Name: 6-[[4-(dimethylaminomethyl)benzyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-21(2)14-16-10-8-15(9-11-16)13-20-18(24)19-12-6-4-5-7-17(22)23-3/h8-11H,4-7,12-14H2,1-3H3,(H2,19,20,24)