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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-cyclopropyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-cyclopropyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Traditional Name: N-cyclopropyl-2-[[3,3-diphenylpropyl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CSC(=N2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1NC(=O)C2=CSC(=N2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H31N3O3S/c35-31(32-25-12-13-25)27-20-38-30(33-27)19-34(18-22-11-14-28-29(17-22)37-21-36-28)16-15-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-11,14,17,20,25-26H,12-13,15-16,18-19,21H2,(H,32,35)