N-[5-(3-cyanopropylsulfanyl)-2-(phenylmethyl)phenyl]-7-phenyl-heptanamide

Systemtic Name: N-[5-(3-cyanopropylsulfanyl)-2-(phenylmethyl)phenyl]-7-phenyl-heptanamide Openeye Name: N-[2-benzyl-5-(3-cyanopropylsulfanyl)phenyl]-7-phenyl-heptanamide CAS Name: N-[5-(3-cyanopropylthio)-2-(phenylmethyl)phenyl]-7-phenylheptanamide IUPAC Name: N-[2-benzyl-5-(3-cyanopropylsulfanyl)phenyl]-7-phenylheptanamide Traditional Name: N-[2-benzyl-5-(3-cyanopropylthio)phenyl]-7-phenyl-enanthamide Formula: C30H34N2OS MolecularWeight: 470.66876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)NC2=C(C=CC(=C2)SCCCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)NC2=C(C=CC(=C2)SCCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C30H34N2OS/c31-21-11-12-22-34-28-20-19-27(23-26-16-8-4-9-17-26)29(24-28)32-30(33)18-10-2-1-5-13-25-14-6-3-7-15-25/h3-4,6-9,14-17,19-20,24H,1-2,5,10-13,18,22-23H2,(H,32,33)