5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C25H30N4S MolecularWeight: 418.5975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3S2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3S2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4S/c1-20(2)25(19-26,21-9-4-3-5-10-21)13-8-14-28-15-17-29(18-16-28)24-27-22-11-6-7-12-23(22)30-24/h3-7,9-12,20H,8,13-18H2,1-2H3