N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

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