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

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H22N4O4S/c1-13-4-5-14(2)16(10-13)19-12-30-21(23-19)24-20(26)17-11-15(25(27)28)6-7-18(17)22-8-9-29-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24,26)