methyl 6-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]hexanoate CAS Name: 6-[[[(5-bromo-2-methoxyphenyl)methyl-methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamothioyl]amino]hexanoate Traditional Name: 6-[[(5-bromo-2-methoxy-benzyl)-methyl-thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O3S/c1-20(12-13-11-14(18)8-9-15(13)22-2)17(24)19-10-6-4-5-7-16(21)23-3/h8-9,11H,4-7,10,12H2,1-3H3,(H,19,24)