2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[3,3-diphenylpropyl(piperonyl)amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CSC(=N1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)NC(=O)C1=CSC(=N1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H33N3O3S/c1-22(2)32-31(35)27-20-38-30(33-27)19-34(18-23-13-14-28-29(17-23)37-21-36-28)16-15-26(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,17,20,22,26H,15-16,18-19,21H2,1-2H3,(H,32,35)