methyl 6-[(3-cyanophenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-cyanophenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-cyanophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-cyanophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-cyanophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C15H19N3O2S/c1-20-14(19)8-3-2-4-9-17-15(21)18-13-7-5-6-12(10-13)11-16/h5-7,10H,2-4,8-9H2,1H3,(H2,17,18,21)