ethyl 3-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O5S/c1-3-30-21(27)11-12-26(16-17-7-5-4-6-8-17)23(32)25-22(28)18-9-10-20(19(24)15-18)31-14-13-29-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,28,32)