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

Systemtic Name: ethyl 3-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O4S/c1-4-31-23(29)12-14-28(17-19-8-6-5-7-9-19)25(33)27-24(30)21-16-20(26)10-11-22(21)32-15-13-18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,27,30,33)