N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-morpholin-4-yl-ethanamide

Systemtic Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-morpholin-4-yl-ethanamide Openeye Name: 2-morpholino-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]acetamide CAS Name: N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-2-(4-morpholinyl)acetamide IUPAC Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide Traditional Name: 2-morpholino-N-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=O)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-15-2-5-17(6-3-15)29-19-7-4-16(12-18(19)24(26)27)13-21-22-20(25)14-23-8-10-28-11-9-23/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)/b21-13+