N-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H27N3O2S2/c1-20(2,3)23-17(24)12-26-19-22-15-10-9-14(11-16(15)27-19)21-18(25)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,21,25)(H,23,24)