N-[5-tert-butyl-3-(oxan-4-ylmethyl)-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide

Systemtic Name: N-[5-tert-butyl-3-(oxan-4-ylmethyl)-1,3-thiazol-2-ylidene]-5-chloranyl-N'-cyano-2-methoxy-benzenecarboximidamide Openeye Name: N-[5-tert-butyl-3-(tetrahydropyran-4-ylmethyl)thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine CAS Name: N-[5-tert-butyl-3-(4-oxanylmethyl)-2-thiazolylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide IUPAC Name: N-[5-tert-butyl-3-(oxan-4-ylmethyl)-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide Traditional Name: N-[5-tert-butyl-3-(tetrahydropyran-4-ylmethyl)-4-thiazolin-2-ylidene]-5-chloro-N'-cyano-2-methoxy-benzamidine Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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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)CC3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CN(C(=NC(=NC#N)C2=C(C=CC(=C2)Cl)OC)S1)CC3CCOCC3

InChI

InChI=1S/C22H27ClN4O2S/c1-22(2,3)19-13-27(12-15-7-9-29-10-8-15)21(30-19)26-20(25-14-24)17-11-16(23)5-6-18(17)28-4/h5-6,11,13,15H,7-10,12H2,1-4H3