N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butyramide Formula: C23H28N2O2S3 MolecularWeight: 460.67562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CCSC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CCSC)C

InChI

InChI=1S/C23H28N2O2S3/c1-16-14-17(2)22-20(15-16)25(11-13-28-4)23(30-22)24-21(26)6-5-12-29-19-9-7-18(27-3)8-10-19/h7-10,14-15H,5-6,11-13H2,1-4H3