2-morpholin-4-yl-N-(4-nitrophenyl)-3-(phenylmethylidene)cyclohexene-1-carbothioamide

Systemtic Name: 2-morpholin-4-yl-N-(4-nitrophenyl)-3-(phenylmethylidene)cyclohexene-1-carbothioamide Openeye Name: 3-benzylidene-2-morpholino-N-(4-nitrophenyl)cyclohexene-1-carbothioamide CAS Name: 2-(4-morpholinyl)-N-(4-nitrophenyl)-3-(phenylmethylene)-1-cyclohexenecarbothioamide IUPAC Name: 3-benzylidene-2-morpholin-4-yl-N-(4-nitrophenyl)cyclohexene-1-carbothioamide Traditional Name: 3-benzal-2-morpholino-N-(4-nitrophenyl)cyclohexene-1-carbothioamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CC=C2)C(=C(C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CC(=CC2=CC=CC=C2)C(=C(C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C24H25N3O3S/c28-27(29)21-11-9-20(10-12-21)25-24(31)22-8-4-7-19(17-18-5-2-1-3-6-18)23(22)26-13-15-30-16-14-26/h1-3,5-6,9-12,17H,4,7-8,13-16H2,(H,25,31)