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

Systemtic Name: N-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methylideneamino]-2-phenyl-ethanamide Openeye Name: N-[(E)-(4-cyclohexylsulfanyl-3-nitro-phenyl)methyleneamino]-2-phenyl-acetamide CAS Name: N-[(E)-[4-(cyclohexylthio)-3-nitrophenyl]methylideneamino]-2-phenylacetamide IUPAC Name: N-[(E)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide Traditional Name: N-[(E)-[4-(cyclohexylthio)-3-nitro-benzylidene]amino]-2-phenyl-acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)C=NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c25-21(14-16-7-3-1-4-8-16)23-22-15-17-11-12-20(19(13-17)24(26)27)28-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,23,25)/b22-15+