N-[(3-methyl-4-morpholin-4-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-methyl-4-morpholin-4-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-methyl-4-morpholino-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[3-methyl-4-(4-morpholinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-methyl-4-morpholino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H20N4O4S/c1-14-10-15(2-4-18(14)24-6-8-29-9-7-24)13-22-23-21(26)20-12-16-11-17(25(27)28)3-5-19(16)30-20/h2-5,10-13H,6-9H2,1H3,(H,23,26)