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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(4-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(4-methyl-3-nitrophenyl)thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(4-methyl-3-nitro-phenyl)thiourea Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-10-5-3-4-6-13(10)17-15(21)16-12-8-7-11(2)14(9-12)18(19)20/h7-10,13H,3-6H2,1-2H3,(H2,16,17,21)/t10-,13-/m0/s1