N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C21H24N2O4S3 MolecularWeight: 464.62126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

InChI

InChI=1S/C21H24N2O4S3/c1-27-17-8-9-19-18(14-17)23(11-12-28-2)21(29-19)22-20(24)10-13-30(25,26)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3