N,N'-bis(phenylmethyl)-2-[[2-(phenylmethyl)-3-sulfanylidene-butanoyl]amino]propanediamide

Systemtic Name: N,N'-bis(phenylmethyl)-2-[[2-(phenylmethyl)-3-sulfanylidene-butanoyl]amino]propanediamide Openeye Name: N,N'-dibenzyl-2-[(2-benzyl-3-thioxo-butanoyl)amino]propanediamide CAS Name: 2-[[1-oxo-2-(phenylmethyl)-3-sulfanylidenebutyl]amino]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: N,N'-dibenzyl-2-[(2-benzyl-3-sulfanylidenebutanoyl)amino]propanediamide Traditional Name: N,N'-dibenzyl-2-[(2-benzyl-3-thioxo-butanoyl)amino]malonamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(CC1=CC=CC=C1)C(=O)NC(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=S)C(CC1=CC=CC=C1)C(=O)NC(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O3S/c1-20(35)24(17-21-11-5-2-6-12-21)26(32)31-25(27(33)29-18-22-13-7-3-8-14-22)28(34)30-19-23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,29,33)(H,30,34)(H,31,32)