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

Systemtic Name: N,N'-bis[2-(4-methylphenyl)ethyl]-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide Openeye Name: 2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-N,N'-bis[2-(p-tolyl)ethyl]propanediamide CAS Name: 2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-N,N'-bis[2-(4-methylphenyl)ethyl]propanediamide IUPAC Name: N,N'-bis[2-(4-methylphenyl)ethyl]-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanediamide Traditional Name: 2-[(2-mercapto-3-phenyl-propanoyl)amino]-N,N'-bis[2-(p-tolyl)ethyl]malonamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C(C(=O)NCCC2=CC=C(C=C2)C)NC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C(C(=O)NCCC2=CC=C(C=C2)C)NC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C30H35N3O3S/c1-21-8-12-23(13-9-21)16-18-31-29(35)27(30(36)32-19-17-24-14-10-22(2)11-15-24)33-28(34)26(37)20-25-6-4-3-5-7-25/h3-15,26-27,37H,16-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)