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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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