N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCSC

InChI

InChI=1S/C22H26N2O4S3/c1-26-15-5-7-16(8-6-15)30-11-9-21(25)23-22-24(10-12-29-4)17-13-18(27-2)19(28-3)14-20(17)31-22/h5-8,13-14H,9-12H2,1-4H3