(NE)-N-[3-cyclohexyl-4-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide

Systemtic Name: (NE)-N-[3-cyclohexyl-4-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide Openeye Name: (NE)-N-[3-cyclohexyl-4-(2-methylbenzofuran-3-yl)thiazol-2-ylidene]thiophene-2-sulfonamide CAS Name: (NE)-N-[3-cyclohexyl-4-(2-methyl-3-benzofuranyl)-2-thiazolylidene]-2-thiophenesulfonamide IUPAC Name: (NE)-N-[3-cyclohexyl-4-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide Traditional Name: (NE)-N-[3-cyclohexyl-4-(2-methylbenzofuran-3-yl)-4-thiazolin-2-ylidene]thiophene-2-sulfonamide Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2O1)C3=CSC(=NS(=O)(=O)C4=CC=CS4)N3C5CCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2O1)C3=CS/C(=N/S(=O)(=O)C4=CC=CS4)/N3C5CCCCC5

InChI

InChI=1S/C22H22N2O3S3/c1-15-21(17-10-5-6-11-19(17)27-15)18-14-29-22(24(18)16-8-3-2-4-9-16)23-30(25,26)20-12-7-13-28-20/h5-7,10-14,16H,2-4,8-9H2,1H3/b23-22+