2-[(4-cyanophenyl)methylsulfanyl]-N-cycloheptyl-benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-cycloheptyl-benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-cycloheptyl-benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-cycloheptylbenzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-cycloheptylbenzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-cycloheptyl-benzamide Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2OS/c23-15-17-11-13-18(14-12-17)16-26-21-10-6-5-9-20(21)22(25)24-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,16H2,(H,24,25)