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

Systemtic Name: N,N'-bis[(2-hydroxyphenyl)methyl]-2-[(4-isothiocyanatophenyl)methyl]-2-methyl-propanediamide Openeye Name: N,N'-bis[(2-hydroxyphenyl)methyl]-2-[(4-isothiocyanatophenyl)methyl]-2-methyl-propanediamide CAS Name: N,N'-bis[(2-hydroxyphenyl)methyl]-2-[(4-isothiocyanatophenyl)methyl]-2-methylpropanediamide IUPAC Name: N,N'-bis[(2-hydroxyphenyl)methyl]-2-[(4-isothiocyanatophenyl)methyl]-2-methylpropanediamide Traditional Name: 2-(4-isothiocyanatobenzyl)-2-methyl-N,N'-disalicyl-malonamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N=C=S)(C(=O)NCC2=CC=CC=C2O)C(=O)NCC3=CC=CC=C3O

Isomeric SMILES

CC(CC1=CC=C(C=C1)N=C=S)(C(=O)NCC2=CC=CC=C2O)C(=O)NCC3=CC=CC=C3O

InChI

InChI=1S/C26H25N3O4S/c1-26(14-18-10-12-21(13-11-18)29-17-34,24(32)27-15-19-6-2-4-8-22(19)30)25(33)28-16-20-7-3-5-9-23(20)31/h2-13,30-31H,14-16H2,1H3,(H,27,32)(H,28,33)