1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(phenoxymethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(phenoxymethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[oxo-[4-(phenoxymethyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-16-7-5-6-10-20(16)23-22(28)25-24-21(26)18-13-11-17(12-14-18)15-27-19-8-3-2-4-9-19/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,24,26)(H2,23,25,28)/t16-,20-/m0/s1