N,N-dimethyl-2-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(2-benzylthiazol-4-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[2-(phenylmethyl)-4-thiazolyl]methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(2-benzylthiazol-4-yl)methylthio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CSC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CSC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S3/c1-23(2)29(24,25)16-8-9-18-17(11-16)22-20(26-18)28-13-15-12-27-19(21-15)10-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3