[2-bromanyl-6-[(4-bromophenyl)carbamothioyl]-4-chloranyl-phenyl] 3-phenylpropanoate

Systemtic Name: [2-bromanyl-6-[(4-bromophenyl)carbamothioyl]-4-chloranyl-phenyl] 3-phenylpropanoate Openeye Name: [2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chloro-phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-bromo-6-[(4-bromoanilino)-sulfanylidenemethyl]-4-chlorophenyl] ester IUPAC Name: [2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-bromo-6-[(4-bromophenyl)thiocarbamoyl]-4-chloro-phenyl] ester Formula: C22H16Br2ClNO2S MolecularWeight: 553.69394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2C(=S)NC3=CC=C(C=C3)Br)Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2C(=S)NC3=CC=C(C=C3)Br)Cl)Br

InChI

InChI=1S/C22H16Br2ClNO2S/c23-15-7-9-17(10-8-15)26-22(29)18-12-16(25)13-19(24)21(18)28-20(27)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2,(H,26,29)