2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-N,N'-bis(2-pyridin-4-ylethyl)propanediamide

Systemtic Name: 2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-N,N'-bis(2-pyridin-4-ylethyl)propanediamide Openeye Name: 2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-N,N'-bis[2-(4-pyridyl)ethyl]propanediamide CAS Name: 2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-N,N'-bis(2-pyridin-4-ylethyl)propanediamide IUPAC Name: 2-[(3-phenyl-2-sulfanylpropanoyl)amino]-N,N'-bis(2-pyridin-4-ylethyl)propanediamide Traditional Name: 2-[(2-mercapto-3-phenyl-propanoyl)amino]-N,N'-bis[2-(4-pyridyl)ethyl]malonamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(C(=O)NCCC2=CC=NC=C2)C(=O)NCCC3=CC=NC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(C(=O)NCCC2=CC=NC=C2)C(=O)NCCC3=CC=NC=C3)S

InChI

InChI=1S/C26H29N5O3S/c32-24(22(35)18-21-4-2-1-3-5-21)31-23(25(33)29-16-10-19-6-12-27-13-7-19)26(34)30-17-11-20-8-14-28-15-9-20/h1-9,12-15,22-23,35H,10-11,16-18H2,(H,29,33)(H,30,34)(H,31,32)