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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-phenoxy-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-phenoxy-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-phenoxypropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-phenoxypropanamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-3-phenoxy-propionamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCOC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCOC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-14-19(12-15-7-8-17-18(11-15)27-13-26-17)28-21(22-14)23-20(24)9-10-25-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,22,23,24)