N,N'-bis(2-phenylazanylethyl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide

Systemtic Name: N,N'-bis(2-phenylazanylethyl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide Openeye Name: N,N'-bis(2-anilinoethyl)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide CAS Name: N,N'-bis(2-anilinoethyl)-2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]propanediamide IUPAC Name: N,N'-bis(2-anilinoethyl)-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanediamide Traditional Name: N,N'-bis(2-anilinoethyl)-2-[(2-mercapto-3-phenyl-propanoyl)amino]malonamide Formula: C28H33N5O3S MolecularWeight: 519.65832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(C(=O)NCCNC2=CC=CC=C2)C(=O)NCCNC3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(C(=O)NCCNC2=CC=CC=C2)C(=O)NCCNC3=CC=CC=C3)S

InChI

InChI=1S/C28H33N5O3S/c34-26(24(37)20-21-10-4-1-5-11-21)33-25(27(35)31-18-16-29-22-12-6-2-7-13-22)28(36)32-19-17-30-23-14-8-3-9-15-23/h1-15,24-25,29-30,37H,16-20H2,(H,31,35)(H,32,36)(H,33,34)