N-[4-cyano-1-[4-(phenylmethyl)phenyl]sulfanyl-butan-2-yl]-7-phenyl-heptanamide

Systemtic Name: N-[4-cyano-1-[4-(phenylmethyl)phenyl]sulfanyl-butan-2-yl]-7-phenyl-heptanamide Openeye Name: N-[1-[(4-benzylphenyl)sulfanylmethyl]-3-cyano-propyl]-7-phenyl-heptanamide CAS Name: N-[4-cyano-1-[[4-(phenylmethyl)phenyl]thio]butan-2-yl]-7-phenylheptanamide IUPAC Name: N-[1-(4-benzylphenyl)sulfanyl-4-cyanobutan-2-yl]-7-phenylheptanamide Traditional Name: N-[1-[[(4-benzylphenyl)thio]methyl]-3-cyano-propyl]-7-phenyl-enanthamide Formula: C31H36N2OS MolecularWeight: 484.69534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)NC(CCC#N)CSC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)NC(CCC#N)CSC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H36N2OS/c32-23-11-17-29(33-31(34)18-10-2-1-5-12-26-13-6-3-7-14-26)25-35-30-21-19-28(20-22-30)24-27-15-8-4-9-16-27/h3-4,6-9,13-16,19-22,29H,1-2,5,10-12,17-18,24-25H2,(H,33,34)