methyl 6-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-bromo-3-chloro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-3-chlorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18BrClN2O2S MolecularWeight: 393.72692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrClN2O2S/c1-20-13(19)5-3-2-4-8-17-14(21)18-10-6-7-11(15)12(16)9-10/h6-7,9H,2-5,8H2,1H3,(H2,17,18,21)