N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-4-phenyl-butanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-4-phenylbutanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-4-phenylbutanamide Traditional Name: 4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-phenyl-butyramide Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S2/c1-23-18-20-14-8-7-13(11-16(14)24-18)19-17(22)10-9-15(21)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,22)