(1S,3E)-N-(4-nitrophenyl)-2-oxidanylidene-3-(phenylmethylidene)cyclohexane-1-carbothioamide

Systemtic Name: (1S,3E)-N-(4-nitrophenyl)-2-oxidanylidene-3-(phenylmethylidene)cyclohexane-1-carbothioamide Openeye Name: (1S,3E)-3-benzylidene-N-(4-nitrophenyl)-2-oxo-cyclohexanecarbothioamide CAS Name: (1S,3E)-N-(4-nitrophenyl)-2-oxo-3-(phenylmethylene)-1-cyclohexanecarbothioamide IUPAC Name: (1S,3E)-3-benzylidene-N-(4-nitrophenyl)-2-oxocyclohexane-1-carbothioamide Traditional Name: (1S,3E)-3-benzal-2-keto-N-(4-nitrophenyl)cyclohexanecarbothioamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C(=O)/C(=C/C2=CC=CC=C2)/C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O3S/c23-19-15(13-14-5-2-1-3-6-14)7-4-8-18(19)20(26)21-16-9-11-17(12-10-16)22(24)25/h1-3,5-6,9-13,18H,4,7-8H2,(H,21,26)/b15-13+/t18-/m0/s1