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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[3,3-diphenylpropyl(piperonyl)amino]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C36H35N3O3S MolecularWeight: 589.7464

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=NC(=CS5)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=NC(=CS5)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C36H35N3O3S/c40-36(37-20-18-27-10-4-1-5-11-27)32-25-43-35(38-32)24-39(23-28-16-17-33-34(22-28)42-26-41-33)21-19-31(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-17,22,25,31H,18-21,23-24,26H2,(H,37,40)