2-[(4-isothiocyanatophenyl)methyl]-2-methyl-N,N'-bis[(2-sulfanylphenyl)methyl]propanediamide

Systemtic Name: 2-[(4-isothiocyanatophenyl)methyl]-2-methyl-N,N'-bis[(2-sulfanylphenyl)methyl]propanediamide Openeye Name: 2-[(4-isothiocyanatophenyl)methyl]-2-methyl-N,N'-bis[(2-sulfanylphenyl)methyl]propanediamide CAS Name: 2-[(4-isothiocyanatophenyl)methyl]-N,N'-bis[(2-mercaptophenyl)methyl]-2-methylpropanediamide IUPAC Name: 2-[(4-isothiocyanatophenyl)methyl]-2-methyl-N,N'-bis[(2-sulfanylphenyl)methyl]propanediamide Traditional Name: 2-(4-isothiocyanatobenzyl)-N,N'-bis(2-mercaptobenzyl)-2-methyl-malonamide Formula: C26H25N3O2S3 MolecularWeight: 507.6906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N=C=S)(C(=O)NCC2=CC=CC=C2S)C(=O)NCC3=CC=CC=C3S

Isomeric SMILES

CC(CC1=CC=C(C=C1)N=C=S)(C(=O)NCC2=CC=CC=C2S)C(=O)NCC3=CC=CC=C3S

InChI

InChI=1S/C26H25N3O2S3/c1-26(14-18-10-12-21(13-11-18)29-17-32,24(30)27-15-19-6-2-4-8-22(19)33)25(31)28-16-20-7-3-5-9-23(20)34/h2-13,33-34H,14-16H2,1H3,(H,27,30)(H,28,31)