N-(3,5-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3,5-dimethoxyphenyl)-2-phenylacetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H27N3O3S2 MolecularWeight: 529.67298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C29H27N3O3S2/c1-34-24-17-23(18-25(19-24)35-2)30-28(33)27(20-9-5-3-6-10-20)37-26-15-13-22(14-16-26)32-29(36)31-21-11-7-4-8-12-21/h3-19,27H,1-2H3,(H,30,33)(H2,31,32,36)