1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(3-nitrophenyl)thiourea Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O2S/c22-21(23)16-3-1-2-15(7-16)20-17(24)19-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H2,19,20,24)