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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[3,3-diphenylpropyl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C33H37N3O3S MolecularWeight: 555.73018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N3O3S/c1-2-3-10-18-34-33(37)29-23-40-32(35-29)22-36(21-25-15-16-30-31(20-25)39-24-38-30)19-17-28(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-16,20,23,28H,2-3,10,17-19,21-22,24H2,1H3,(H,34,37)