3-[4-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]butylsulfanyl]benzenecarbonitrile

Systemtic Name: 3-[4-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]butylsulfanyl]benzenecarbonitrile Openeye Name: 3-[4-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]butylsulfanyl]benzonitrile CAS Name: 3-[4-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]butylthio]benzonitrile IUPAC Name: 3-[4-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]butylsulfanyl]benzonitrile Traditional Name: 3-[4-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]butylthio]benzonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCSC2=CC=CC(=C2)C#N)C3=CC=CC4=C3OC(=O)N4

Isomeric SMILES

C1CN(CCN1CCCCSC2=CC=CC(=C2)C#N)C3=CC=CC4=C3OC(=O)N4

InChI

InChI=1S/C22H24N4O2S/c23-16-17-5-3-6-18(15-17)29-14-2-1-9-25-10-12-26(13-11-25)20-8-4-7-19-21(20)28-22(27)24-19/h3-8,15H,1-2,9-14H2,(H,24,27)