ethyl 3-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(5-bromo-2-phenethyloxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C28H29BrN2O4S MolecularWeight: 569.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H29BrN2O4S/c1-2-34-26(32)15-17-31(20-22-11-7-4-8-12-22)28(36)30-27(33)24-19-23(29)13-14-25(24)35-18-16-21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3,(H,30,33,36)