S-[6-[(5-morpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexyl] ethanethioate

Systemtic Name: S-[6-[(5-morpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexyl] ethanethioate Openeye Name: S-[6-[[5-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]amino]-6-oxo-hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-[[5-[4-morpholinyl(oxo)methyl]-1,3-benzothiazol-2-yl]amino]-6-oxohexyl] ester IUPAC Name: S-[6-[[5-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]amino]-6-oxohexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-keto-6-[[5-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]amino]hexyl] ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(=O)NC1=NC2=C(S1)C=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC(=O)SCCCCCC(=O)NC1=NC2=C(S1)C=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O4S2/c1-14(24)28-12-4-2-3-5-18(25)22-20-21-16-13-15(6-7-17(16)29-20)19(26)23-8-10-27-11-9-23/h6-7,13H,2-5,8-12H2,1H3,(H,21,22,25)