2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-morpholino-5-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-[2-(4-morpholinyl)-5-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-(2-morpholino-5-nitro-benzylidene)amino]acetamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C19H22N6O4S/c1-13-9-14(2)22-19(21-13)30-12-18(26)23-20-11-15-10-16(25(27)28)3-4-17(15)24-5-7-29-8-6-24/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)/b20-11+