ethyl 3-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(5-bromofuran-2-carbonyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(5-bromofuran-2-carbonyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(5-bromo-2-furoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-2-24-16(22)10-11-21(12-13-6-4-3-5-7-13)18(26)20-17(23)14-8-9-15(19)25-14/h3-9H,2,10-12H2,1H3,(H,20,23,26)