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

Systemtic Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(4-methyl-5-piperonyl-thiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O6S/c1-12-18(8-13-5-6-16-17(7-13)31-11-30-16)32-21(23-12)24-19(26)10-22-20(27)14-3-2-4-15(9-14)25(28)29/h2-7,9H,8,10-11H2,1H3,(H,22,27)(H,23,24,26)