1-(1-adamantyl)-3-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-2-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-2-nitro-benzylidene)amino]thiourea Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O2S/c19-15-1-2-16(23(24)25)14(6-15)10-20-22-17(26)21-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H2,21,22,26)/b20-10+