N,N-diethyl-3-[[ethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[[ethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[ethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[benzyl(ethyl)amino]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-4-22(15-17-10-8-7-9-11-17)16-24-19-14-18(12-13-20(19)27-21(24)28)29(25,26)23(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3