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

Systemtic Name: 5-[4-[1,3-benzothiazol-2-yl(propan-2-yl)amino]piperidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[1,3-benzothiazol-2-yl(isopropyl)amino]-1-piperidyl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[1,3-benzothiazol-2-yl(propan-2-yl)amino]-1-piperidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[1,3-benzothiazol-2-yl(propan-2-yl)amino]piperidin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[1,3-benzothiazol-2-yl(isopropyl)amino]piperidino]-2-isopropyl-2-phenyl-valeronitrile Formula: C29H38N4S MolecularWeight: 474.70382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)N(C2=NC3=CC=CC=C3S2)C(C)C)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)N(C2=NC3=CC=CC=C3S2)C(C)C)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H38N4S/c1-22(2)29(21-30,24-11-6-5-7-12-24)17-10-18-32-19-15-25(16-20-32)33(23(3)4)28-31-26-13-8-9-14-27(26)34-28/h5-9,11-14,22-23,25H,10,15-20H2,1-4H3