2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-sec-butyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]-N-sec-butyl-thiazole-4-carboxamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S/c1-6-19(2)29-27(32)23-17-35-26(30-23)16-31(14-20-7-10-22(11-8-20)28(3,4)5)15-21-9-12-24-25(13-21)34-18-33-24/h7-13,17,19H,6,14-16,18H2,1-5H3,(H,29,32)