3-methyl-N-[2-oxidanylidene-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Openeye Name: 3-methyl-N-[2-oxo-2-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide CAS Name: 3-methyl-N-[2-oxo-2-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2-oxo-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Traditional Name: N-[2-keto-2-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]amino]ethyl]-3-methyl-butyramide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H22N4O2S2/c1-13(2)8-18(25)22-11-19(26)23-15-5-6-16-17(9-15)28-20(24-16)27-12-14-4-3-7-21-10-14/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,22,25)(H,23,26)