N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(benzenesulfonyl)-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-besyl-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C20H22N2O5S4 MolecularWeight: 498.65908

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S4/c1-28-12-11-22-17-9-8-16(30(2,24)25)14-18(17)29-20(22)21-19(23)10-13-31(26,27)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3