2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N,4-dimethyl-pentanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N,4-dimethyl-pentanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,4-dimethyl-pentanamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-N,4-dimethylpentanamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,4-dimethylpentanamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N,4-dimethyl-valeramide Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)NC(=O)CSCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CC(C(=O)NC)NC(=O)CSCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H23N3O2S2/c1-11(2)8-13(17(22)18-3)19-15(21)9-23-10-16-20-12-6-4-5-7-14(12)24-16/h4-7,11,13H,8-10H2,1-3H3,(H,18,22)(H,19,21)