4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)-3-nitro-benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-N-(6-morpholino-3-pyridyl)-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-N-[6-(4-morpholinyl)-3-pyridinyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-N-(6-morpholino-3-pyridyl)-3-nitro-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S2/c1-13-12-30-20(22-13)31-17-4-2-14(10-16(17)25(27)28)19(26)23-15-3-5-18(21-11-15)24-6-8-29-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,23,26)