N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C18H18N2OS2 MolecularWeight: 342.47832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS2/c1-2-6-17(21)19-14-9-10-15-16(11-14)23-18(20-15)22-12-13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3,(H,19,21)