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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H17N3O5S/c1-11-14(4-3-5-15(11)23(25)26)19(24)22-20-21-12(2)18(29-20)9-13-6-7-16-17(8-13)28-10-27-16/h3-8H,9-10H2,1-2H3,(H,21,22,24)