N-[2-(1,3-benzodioxol-5-ylcarbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide CAS Name: N-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]cyclohexyl]-2-(phenoxymethyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(phenoxymethyl)-N-[2-(piperonyloylamino)cyclohexyl]thiazole-4-carboxamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CSC(=N4)COC5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CSC(=N4)COC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O5S/c29-24(16-10-11-21-22(12-16)33-15-32-21)27-18-8-4-5-9-19(18)28-25(30)20-14-34-23(26-20)13-31-17-6-2-1-3-7-17/h1-3,6-7,10-12,14,18-19H,4-5,8-9,13,15H2,(H,27,29)(H,28,30)