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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2,4-dimethoxyphenyl)-2-phenylacetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2,4-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(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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