N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-phenylsulfanyl-butanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-(phenylthio)butanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]-4-phenylsulfanylbutanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-(phenylthio)butyramide Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2S1)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2S1)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS3/c1-25-15-13-18(21-23-17-10-5-6-11-19(17)27-21)22-20(24)12-7-14-26-16-8-3-2-4-9-16/h2-6,8-11,18H,7,12-15H2,1H3,(H,22,24)