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

Systemtic Name: 4-(methylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[4-(2-morpholinothiazol-4-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[4-[2-(4-morpholinyl)-4-thiazolyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[4-(2-morpholinothiazol-4-yl)phenyl]-3-nitro-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-22-17-7-4-15(12-19(17)26(28)29)20(27)23-16-5-2-14(3-6-16)18-13-31-21(24-18)25-8-10-30-11-9-25/h2-7,12-13,22H,8-11H2,1H3,(H,23,27)