3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-indan-5-ylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-indan-5-ylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H20N2O3S3/c1-26-20-22-17-8-6-15(12-18(17)27-20)21-19(23)9-10-28(24,25)16-7-5-13-3-2-4-14(13)11-16/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)