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

Systemtic Name: ethyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-bromo-4-methoxy-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-bromo-4-methoxy-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-3-28-19(25)11-12-24(14-15-7-5-4-6-8-15)21(29)23-20(26)16-9-10-18(27-2)17(22)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,26,29)