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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C21H24N2O5S4 MolecularWeight: 512.68566

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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)CC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S4/c1-29-12-11-23-18-9-8-17(31(2,25)26)14-19(18)30-21(23)22-20(24)10-13-32(27,28)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3