1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-thiazol-2-yl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(2-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-piperonyl-4-thiazol-2-yl-pyrrole-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC=CS4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC=CS4

InChI

InChI=1S/C21H23N3O3S/c1-3-4-5-15-19(21-23-8-9-28-21)18(20(22)25)13(2)24(15)11-14-6-7-16-17(10-14)27-12-26-16/h6-10H,3-5,11-12H2,1-2H3,(H2,22,25)