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

Systemtic Name: N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S2/c28-22(25-14-13-17-7-3-1-4-8-17)16-30-24-27-20-12-11-19(15-21(20)31-24)26-23(29)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13-14,16H2,(H,25,28)(H,26,29)