methyl 4-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(4-bromophenyl)methyl-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(4-bromophenyl)methyl-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-bromophenyl)methyl-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(4-bromobenzyl)-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C14H19BrN2O2S MolecularWeight: 359.28186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2S/c1-17(10-11-5-7-12(15)8-6-11)14(20)16-9-3-4-13(18)19-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)