3-(phenylsulfonyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-besyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C22H20N2O3S4 MolecularWeight: 488.6658

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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)SCCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C22H20N2O3S4/c25-21(10-13-31(26,27)18-4-2-1-3-5-18)23-17-6-7-19-20(14-17)30-22(24-19)29-12-9-16-8-11-28-15-16/h1-8,11,14-15H,9-10,12-13H2,(H,23,25)