N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-4-phenylsulfanyl-butanamide CAS Name: N-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-4-(phenylthio)butanamide IUPAC Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-phenylsulfanylbutanamide Traditional Name: N-[4-(2-methylthiazol-4-yl)benzyl]-4-(phenylthio)butyramide Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS2/c1-16-23-20(15-26-16)18-11-9-17(10-12-18)14-22-21(24)8-5-13-25-19-6-3-2-4-7-19/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,22,24)