1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H28N6OS/c1-14-13-15(2)24-20(23-14)27-21(25-18-7-5-4-6-8-18)28-22(30)26-19-11-9-17(10-12-19)16(3)29/h9-13,18H,4-8H2,1-3H3,(H3,23,24,25,26,27,28,30)