N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H22N4O6S/c1-29-9-8-22-17-6-4-13(25(27)28)10-16(17)20(26)24-21-23-18(12-32-21)15-11-14(30-2)5-7-19(15)31-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24,26)