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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-N-(2-morpholinophenyl)-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-N-(2-morpholinophenyl)-3-nitro-benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c1-14-13-30-21(22-14)31-19-7-6-15(12-18(19)25(27)28)20(26)23-16-4-2-3-5-17(16)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,26)