N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3-cyclopentyl-propanamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-3-cyclopentyl-propanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]thiazol-2-yl]-3-cyclopentyl-propanamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-thiazolyl]-3-cyclopentylpropanamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylpropanamide Traditional Name: 3-cyclopentyl-N-[4-[2-keto-2-(piperonylamino)ethyl]thiazol-2-yl]propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=NC(=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=NC(=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4S/c25-19(8-6-14-3-1-2-4-14)24-21-23-16(12-29-21)10-20(26)22-11-15-5-7-17-18(9-15)28-13-27-17/h5,7,9,12,14H,1-4,6,8,10-11,13H2,(H,22,26)(H,23,24,25)