5-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazino]-2-phenyl-valeronitrile Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-20(2)26(19-27,21-8-5-4-6-9-21)12-7-13-29-14-16-30(17-15-29)25-28-23-11-10-22(31-3)18-24(23)32-25/h4-6,8-11,18,20H,7,12-17H2,1-3H3