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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S3/c1-27-14-13-23-18-10-5-6-11-19(18)28-21(23)22-20(24)12-7-15-29(25,26)16-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3