N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-besyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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