methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-dimethylaminophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-dimethylaminophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-19(2)14-10-8-13(9-11-14)18-16(22)17-12-6-4-5-7-15(20)21-3/h8-11H,4-7,12H2,1-3H3,(H2,17,18,22)