1-(4-chloranyl-3-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O2S/c1-9-4-2-3-5-12(9)17-14(21)16-10-6-7-11(15)13(8-10)18(19)20/h6-9,12H,2-5H2,1H3,(H2,16,17,21)/t9-,12-/m0/s1