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

Systemtic Name: 4-[1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-2-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-2-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[1-(4-methoxy-1,3-benzothiazol-2-yl)-2-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-2-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-2-yl]hexyl]-2-methyl-benzonitrile Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CNCCN1C2=NC3=C(C=CC=C3S2)OC)C4=CC(=C(C=C4)C#N)C

Isomeric SMILES

CCCCCC(C1CNCCN1C2=NC3=C(C=CC=C3S2)OC)C4=CC(=C(C=C4)C#N)C

InChI

InChI=1S/C26H32N4OS/c1-4-5-6-8-21(19-11-12-20(16-27)18(2)15-19)22-17-28-13-14-30(22)26-29-25-23(31-3)9-7-10-24(25)32-26/h7,9-12,15,21-22,28H,4-6,8,13-14,17H2,1-3H3