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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

InChI

InChI=1S/C24H29BrN2O4S/c1-3-5-15-31-21-12-11-19(16-20(21)25)23(29)26-24(32)27(14-13-22(28)30-4-2)17-18-9-7-6-8-10-18/h6-12,16H,3-5,13-15,17H2,1-2H3,(H,26,29,32)