N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)OC)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)OC)OC

InChI

InChI=1S/C22H26N2O3S2/c1-5-24-17-13-18(26-3)19(27-4)14-20(17)29-22(24)23-21(25)7-6-12-28-16-10-8-15(2)9-11-16/h8-11,13-14H,5-7,12H2,1-4H3