3-(phenylsulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-besyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C22H19N3O3S3 MolecularWeight: 469.59956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H19N3O3S3/c26-21(10-12-31(27,28)18-6-2-1-3-7-18)24-17-8-9-19-20(13-17)30-22(25-19)29-15-16-5-4-11-23-14-16/h1-9,11,13-14H,10,12,15H2,(H,24,26)