1-(1-adamantyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(4-nitrophenyl)thiourea Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c21-20(22)15-3-1-14(2-4-15)18-16(23)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,18,19,23)