1-(3-methylphenyl)-3-[(1S,2S)-2-[(3-methylphenyl)carbamoylamino]cyclohexyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(1S,2S)-2-[(3-methylphenyl)carbamoylamino]cyclohexyl]urea Openeye Name: 1-(m-tolyl)-3-[(1S,2S)-2-(m-tolylcarbamoylamino)cyclohexyl]urea CAS Name: 1-[(1S,2S)-2-[[(3-methylanilino)-oxomethyl]amino]cyclohexyl]-3-(3-methylphenyl)urea IUPAC Name: 1-(3-methylphenyl)-3-[(1S,2S)-2-[(3-methylphenyl)carbamoylamino]cyclohexyl]urea Traditional Name: 1-(m-tolyl)-3-[(1S,2S)-2-(m-tolylcarbamoylamino)cyclohexyl]urea Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCCC2NC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H]2CCCC[C@@H]2NC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N4O2/c1-15-7-5-9-17(13-15)23-21(27)25-19-11-3-4-12-20(19)26-22(28)24-18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/t19-,20-/m0/s1