4-[1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-(1,3-benzothiazol-2-yl)piperazino]hexyl]-2-methyl-benzonitrile Formula: C25H30N4S MolecularWeight: 418.5975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N4S/c1-3-4-5-9-23(20-11-12-21(18-26)19(2)17-20)28-13-15-29(16-14-28)25-27-22-8-6-7-10-24(22)30-25/h6-8,10-12,17,23H,3-5,9,13-16H2,1-2H3