N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C21H24N2O2S2 MolecularWeight: 400.55746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)C

InChI

InChI=1S/C21H24N2O2S2/c1-4-25-16-9-12-18-19(14-16)27-21(23(18)3)22-20(24)6-5-13-26-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3