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

Systemtic Name: [2-bromanyl-6-[(4-bromophenyl)carbamothioyl]-4-chloranyl-phenyl] dodecanoate Openeye Name: [2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chloro-phenyl] dodecanoate CAS Name: dodecanoic acid [2-bromo-6-[(4-bromoanilino)-sulfanylidenemethyl]-4-chlorophenyl] ester IUPAC Name: [2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl] dodecanoate Traditional Name: lauric acid [2-bromo-6-[(4-bromophenyl)thiocarbamoyl]-4-chloro-phenyl] ester Formula: C25H30Br2ClNO2S MolecularWeight: 603.8372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=S)NC2=CC=C(C=C2)Br)Cl)Br

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=S)NC2=CC=C(C=C2)Br)Cl)Br

InChI

InChI=1S/C25H30Br2ClNO2S/c1-2-3-4-5-6-7-8-9-10-11-23(30)31-24-21(16-19(28)17-22(24)27)25(32)29-20-14-12-18(26)13-15-20/h12-17H,2-11H2,1H3,(H,29,32)