N-(2-methyl-1,3-benzothiazol-5-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-(phenylthio)butyramide Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS2/c1-13-19-16-12-14(9-10-17(16)23-13)20-18(21)8-5-11-22-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21)