methyl 6-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]hexanoate CAS Name: 6-[[[(4-bromophenyl)methyl-methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-bromophenyl)methyl-methylcarbamothioyl]amino]hexanoate Traditional Name: 6-[[(4-bromobenzyl)-methyl-thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C16H23BrN2O2S MolecularWeight: 387.33502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O2S/c1-19(12-13-7-9-14(17)10-8-13)16(22)18-11-5-3-4-6-15(20)21-2/h7-10H,3-6,11-12H2,1-2H3,(H,18,22)