dimethyl 5-[[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H30N6O4S MolecularWeight: 498.5978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4S/c1-14-10-15(2)26-22(25-14)29-23(27-18-8-6-5-7-9-18)30-24(35)28-19-12-16(20(31)33-3)11-17(13-19)21(32)34-4/h10-13,18H,5-9H2,1-4H3,(H3,25,26,27,28,29,30,35)