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

Systemtic Name: ethyl 3-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-bromo-4-isobutoxy-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C24H29BrN2O4S MolecularWeight: 521.46706

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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)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN2O4S/c1-4-30-22(28)12-13-27(15-18-8-6-5-7-9-18)24(32)26-23(29)19-10-11-21(20(25)14-19)31-16-17(2)3/h5-11,14,17H,4,12-13,15-16H2,1-3H3,(H,26,29,32)