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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CNCCN1C2=C3C(=CC=C2)SC=N3)C4=CC(=C(C=C4)C#N)C

Isomeric SMILES

CCCCCC(C1CNCCN1C2=C3C(=CC=C2)SC=N3)C4=CC(=C(C=C4)C#N)C

InChI

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