N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S3/c1-23-13-8-5-9-14-16(13)19-17(24-14)18-15(20)10-11-25(21,22)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,18,19,20)