4-[2-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzothiazol-2-ylmethyl)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-(1,3-benzothiazol-2-ylmethyl)-4-thiazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-ylmethyl)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S3/c1-3-24(4-2)29(25,26)16-11-9-15(10-12-16)18-14-27-20(23-18)13-21-22-17-7-5-6-8-19(17)28-21/h5-12,14H,3-4,13H2,1-2H3