2-[[2-(dicyclohexylcarbamoylamino)-1,3-thiazol-5-yl]sulfanyl]-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[[2-(dicyclohexylcarbamoylamino)-1,3-thiazol-5-yl]sulfanyl]-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[2-(dicyclohexylcarbamoylamino)thiazol-5-yl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[2-[[(dicyclohexylamino)-oxomethyl]amino]-5-thiazolyl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[[2-(dicyclohexylcarbamoylamino)-1,3-thiazol-5-yl]sulfanyl]-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[2-(dicyclohexylcarbamoylamino)thiazol-5-yl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=CN=C(S2)NC(=O)N(C3CCCCC3)C4CCCCC4)C(=O)O

Isomeric SMILES

CN1C(=CN=C1SC2=CN=C(S2)NC(=O)N(C3CCCCC3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C21H29N5O3S2/c1-25-16(18(27)28)12-23-21(25)31-17-13-22-19(30-17)24-20(29)26(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3,(H,27,28)(H,22,24,29)