2-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-chlorobenzyl)-piperonyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C26H30ClN3O3S MolecularWeight: 500.0527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30ClN3O3S/c1-2-3-4-5-12-28-26(31)22-17-34-25(29-22)16-30(14-19-6-9-21(27)10-7-19)15-20-8-11-23-24(13-20)33-18-32-23/h6-11,13,17H,2-5,12,14-16,18H2,1H3,(H,28,31)