4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H25ClN2O3S3 MolecularWeight: 497.0935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)N2CCSC

InChI

InChI=1S/C22H25ClN2O3S3/c1-15-13-19-20(14-16(15)2)30-22(25(19)10-11-29-3)24-21(26)5-4-12-31(27,28)18-8-6-17(23)7-9-18/h6-9,13-14H,4-5,10-12H2,1-3H3