4-(4-methoxyphenyl)sulfonyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]butyramide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O4S3/c1-22-17-11-8-15(27-3)13-18(17)28-20(22)21-19(23)5-4-12-29(24,25)16-9-6-14(26-2)7-10-16/h6-11,13H,4-5,12H2,1-3H3