methyl (3R)-3-(4-bromophenyl)-3-(phenylcarbonylcarbamothioylamino)propanoate

Systemtic Name: methyl (3R)-3-(4-bromophenyl)-3-(phenylcarbonylcarbamothioylamino)propanoate Openeye Name: methyl (3R)-3-(benzoylcarbamothioylamino)-3-(4-bromophenyl)propanoate CAS Name: (3R)-3-[[benzamido(sulfanylidene)methyl]amino]-3-(4-bromophenyl)propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(benzoylcarbamothioylamino)-3-(4-bromophenyl)propanoate Traditional Name: (3R)-3-(benzoylthiocarbamoylamino)-3-(4-bromophenyl)propionic acid methyl ester Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Br)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H](C1=CC=C(C=C1)Br)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17BrN2O3S/c1-24-16(22)11-15(12-7-9-14(19)10-8-12)20-18(25)21-17(23)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,20,21,23,25)/t15-/m1/s1