N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-24-15-10-11-16(25-2)19-18(15)22-20(27-19)21-17(23)9-6-12-26-13-14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,21,22,23)