1-(1-adamantyl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(3-nitrophenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(3-nitrobenzylidene)amino]thiourea Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c23-22(24)16-3-1-2-12(7-16)11-19-21-17(25)20-18-8-13-4-14(9-18)6-15(5-13)10-18/h1-3,7,11,13-15H,4-6,8-10H2,(H2,20,21,25)/b19-11+