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

Systemtic Name: N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4CCCO4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4CCCO4

InChI

InChI=1S/C21H27N3O3S2/c25-19(22-12-16-7-4-10-27-16)13-28-21-24-17-9-8-15(11-18(17)29-21)23-20(26)14-5-2-1-3-6-14/h8-9,11,14,16H,1-7,10,12-13H2,(H,22,25)(H,23,26)