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

Systemtic Name: methyl 6-[(4-bromophenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-bromophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-bromoanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-bromophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H19BrN2O2S MolecularWeight: 359.28186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H19BrN2O2S/c1-19-13(18)5-3-2-4-10-16-14(20)17-12-8-6-11(15)7-9-12/h6-9H,2-5,10H2,1H3,(H2,16,17,20)