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

Systemtic Name: 5-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[1,3-benzothiazol-2-yl(methyl)amino]-1-piperidyl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[1,3-benzothiazol-2-yl(methyl)amino]-1-piperidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H34N4S MolecularWeight: 446.65066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4S/c1-21(2)27(20-28,22-10-5-4-6-11-22)16-9-17-31-18-14-23(15-19-31)30(3)26-29-24-12-7-8-13-25(24)32-26/h4-8,10-13,21,23H,9,14-19H2,1-3H3