N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-(4-piperidyl)thiazole-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(4-piperidinyl)-4-thiazolecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-(4-piperidyl)thiazole-4-carboxamide Formula: C29H45N3O2S MolecularWeight: 499.7515

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CSC(=N2)C3CCNCC3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CSC(=N2)C3CCNCC3)C(C)(C)CC

InChI

InChI=1S/C29H45N3O2S/c1-7-28(3,4)22-11-12-25(23(19-22)29(5,6)8-2)34-18-10-9-15-31-26(33)24-20-35-27(32-24)21-13-16-30-17-14-21/h11-12,19-21,30H,7-10,13-18H2,1-6H3,(H,31,33)