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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S3/c1-26-13-12-22-17-9-5-6-10-18(17)27-20(22)21-19(23)11-14-28(24,25)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3