N-[5-tert-butyl-3-[[(2R)-piperidin-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide

Systemtic Name: N-[5-tert-butyl-3-[[(2R)-piperidin-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide Openeye Name: N-[5-tert-butyl-3-[[(2R)-2-piperidyl]methyl]thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine CAS Name: N-[5-tert-butyl-3-[[(2R)-2-piperidinyl]methyl]-2-thiazolylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide IUPAC Name: N-[5-tert-butyl-3-[[(2R)-piperidin-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide Traditional Name: N-[5-tert-butyl-3-[[(2R)-2-piperidyl]methyl]-4-thiazolin-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C(=NC(=NC#N)C2=C(C=CC(=C2)Cl)OC)S1)CC3CCCCN3

Isomeric SMILES

CC(C)(C)C1=CN(C(=NC(=NC#N)C2=C(C=CC(=C2)Cl)OC)S1)C[C@H]3CCCCN3

InChI

InChI=1S/C22H28ClN5OS/c1-22(2,3)19-13-28(12-16-7-5-6-10-25-16)21(30-19)27-20(26-14-24)17-11-15(23)8-9-18(17)29-4/h8-9,11,13,16,25H,5-7,10,12H2,1-4H3/t16-/m1/s1