N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H26ClN3O2S2 MolecularWeight: 548.11864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

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