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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-(4-nitrophenyl)acetamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O5S/c1-12-18(9-14-4-7-16-17(8-14)28-11-27-16)29-20(21-12)22-19(24)10-13-2-5-15(6-3-13)23(25)26/h2-8H,9-11H2,1H3,(H,21,22,24)