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

Systemtic Name: 2-[(Z)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(Z)-(4-morpholino-3-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(Z)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(Z)-(4-morpholino-3-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c21-12-16-15-3-1-2-4-19(15)28-20(16)22-13-14-5-6-17(18(11-14)24(25)26)23-7-9-27-10-8-23/h5-6,11,13H,1-4,7-10H2/b22-13-