N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-phenyl-butanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-phenyl-butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-phenyl-butanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-phenylbutanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-phenylbutanamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-phenyl-butyramide Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H22N2O3S/c1-3-17(16-7-5-4-6-8-16)21(25)24-22-23-14(2)20(28-22)12-15-9-10-18-19(11-15)27-13-26-18/h4-11,17H,3,12-13H2,1-2H3,(H,23,24,25)