4-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[4-(2-morpholinothiazol-4-yl)phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[4-[2-(4-morpholinyl)-4-thiazolyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[4-(2-morpholinothiazol-4-yl)phenyl]-3-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-14-2-3-16(12-19(14)25(27)28)20(26)22-17-6-4-15(5-7-17)18-13-30-21(23-18)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,26)