1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(3-nitrophenyl)thiourea Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O2S/c1-2-18(20-10-13-6-14(11-20)8-15(7-13)12-20)22-19(26)21-16-4-3-5-17(9-16)23(24)25/h3-5,9,13-15,18H,2,6-8,10-12H2,1H3,(H2,21,22,26)