N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC(=C(C=C4S3)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC(=C(C=C4S3)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c1-12-20(27(29)30)13(2)26(25-12)11-14-5-7-15(8-6-14)21(28)24-22-23-16-9-17(31-3)18(32-4)10-19(16)33-22/h5-10H,11H2,1-4H3,(H,23,24,28)