1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea CAS Name: 1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O2S/c1-11-7-13(10-16(2,3)9-11)18-15(22)17-12-5-4-6-14(8-12)19(20)21/h4-6,8,11,13H,7,9-10H2,1-3H3,(H2,17,18,22)