3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-acetamido-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-acetamido-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC

Isomeric SMILES

CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC

InChI

InChI=1S/C13H15N3O2S2/c1-8(17)14-6-5-12(18)15-9-3-4-10-11(7-9)20-13(16-10)19-2/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,18)