N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide

Systemtic Name: N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Openeye Name: N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide CAS Name: N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butanamide IUPAC Name: N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Traditional Name: N-(2-cyanophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butyramide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C20H19N3O2S2/c1-3-17(19(24)22-15-8-6-5-7-13(15)12-21)26-20-23-16-10-9-14(25-4-2)11-18(16)27-20/h5-11,17H,3-4H2,1-2H3,(H,22,24)