N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C22H26N2O3S3/c1-17-10-11-19-20(15-17)29-22(24(19)12-13-28-2)23-21(25)9-6-14-30(26,27)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3