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

Systemtic Name: N-(4-bromophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-bromophenyl)-2-phenylacetamide IUPAC Name: N-(4-bromophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C27H22BrN3OS2 MolecularWeight: 548.51708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)Br)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)Br)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C27H22BrN3OS2/c28-20-14-16-22(17-15-20)29-26(32)25(19-8-3-1-4-9-19)34-24-13-7-12-23(18-24)31-27(33)30-21-10-5-2-6-11-21/h1-18,25H,(H,29,32)(H2,30,31,33)