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

Systemtic Name: N-(3-chlorophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-chlorophenyl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3-chlorophenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3-chlorophenyl)-2-phenyl-acetamide Formula: C29H24ClN3O2S2 MolecularWeight: 546.10276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H24ClN3O2S2/c1-19(34)20-13-15-23(16-14-20)32-29(36)33-25-11-6-12-26(18-25)37-27(21-7-3-2-4-8-21)28(35)31-24-10-5-9-22(30)17-24/h2-18,27H,1H3,(H,31,35)(H2,32,33,36)