2-methyl-4-[1-[1-(C-thiophen-2-ylcarbonimidoyl)piperazin-2-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[1-(C-thiophen-2-ylcarbonimidoyl)piperazin-2-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[1-(thiophene-2-carboximidoyl)piperazin-2-yl]hexyl]benzonitrile CAS Name: 4-[1-[1-[imino(thiophen-2-yl)methyl]-2-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 2-methyl-4-[1-[1-(thiophene-2-carboximidoyl)piperazin-2-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[1-(thiophene-2-carboximidoyl)piperazin-2-yl]hexyl]benzonitrile Formula: C23H30N4S MolecularWeight: 394.5761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CNCCN1C(=N)C2=CC=CS2)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCC(C1CNCCN1C(=N)C2=CC=CS2)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C23H30N4S/c1-3-4-5-7-20(18-9-10-19(15-24)17(2)14-18)21-16-26-11-12-27(21)23(25)22-8-6-13-28-22/h6,8-10,13-14,20-21,25-26H,3-5,7,11-12,16H2,1-2H3