methyl 4-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(5-bromo-2-methoxyphenyl)methyl-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(5-bromo-2-methoxy-benzyl)-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C15H21BrN2O3S MolecularWeight: 389.30784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O3S/c1-18(15(22)17-8-4-5-14(19)21-3)10-11-9-12(16)6-7-13(11)20-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,22)