N-(3-chloranyl-4-methoxy-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H26ClN3O2S2 MolecularWeight: 548.11864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C29H26ClN3O2S2/c1-19-11-13-21(14-12-19)32-29(36)33-22-9-6-10-24(17-22)37-27(20-7-4-3-5-8-20)28(34)31-23-15-16-26(35-2)25(30)18-23/h3-18,27H,1-2H3,(H,31,34)(H2,32,33,36)