1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-tert-butylphenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-tert-butylphenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-tert-butylphenoxy)propan-1-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H30N2O2S/c1-17(29-20-11-9-19(10-12-20)25(2,3)4)24(28)27-15-13-18(14-16-27)23-26-21-7-5-6-8-22(21)30-23/h5-12,17-18H,13-16H2,1-4H3