2-[2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]thio]benzonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c27-19-22-11-4-6-13-24(22)31-25-14-7-5-12-23(25)26(30)29-16-8-15-28(17-18-29)20-21-9-2-1-3-10-21/h1-7,9-14H,8,15-18,20H2