N-(4-bromophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-bromophenyl)acetamide Formula: C23H20BrN3O2S2 MolecularWeight: 514.4578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrN3O2S2/c1-15(28)16-5-9-19(10-6-16)26-23(30)27-20-3-2-4-21(13-20)31-14-22(29)25-18-11-7-17(24)8-12-18/h2-13H,14H2,1H3,(H,25,29)(H2,26,27,30)