N-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methylideneamino]-2-phenylazanyl-ethanamide

Systemtic Name: N-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methylideneamino]-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-N-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-anilino-N-[(E)-[4-(cyclohexylthio)-3-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-anilino-N-[(E)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-anilino-N-[(E)-[4-(cyclohexylthio)-3-nitro-benzylidene]amino]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)C=NNC(=O)CNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)/C=N/NC(=O)CNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c26-21(15-22-17-7-3-1-4-8-17)24-23-14-16-11-12-20(19(13-16)25(27)28)29-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15H2,(H,24,26)/b23-14+