1-(2-methoxy-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(2-methoxy-5-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(2-methoxy-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-10-5-3-4-6-12(10)16-15(22)17-13-9-11(18(19)20)7-8-14(13)21-2/h7-10,12H,3-6H2,1-2H3,(H2,16,17,22)/t10-,12-/m0/s1