4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(3-methoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C25H28N4OS/c1-30-21-6-4-5-19(17-21)25(18-26)11-9-20(10-12-25)28-13-15-29(16-14-28)24-27-22-7-2-3-8-23(22)31-24/h2-8,17,20H,9-16H2,1H3