2-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-(2-morpholino-5-nitro-phenyl)methyleneamino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-[2-(4-morpholinyl)-5-nitrophenyl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(E)-(2-morpholino-5-nitro-benzylidene)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4S/c31-25(28-19-6-2-1-3-7-19)24-21-8-4-5-9-23(21)35-26(24)27-17-18-16-20(30(32)33)10-11-22(18)29-12-14-34-15-13-29/h1-3,6-7,10-11,16-17H,4-5,8-9,12-15H2,(H,28,31)/b27-17+