6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N,N-diethyl-hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N,N-diethyl-hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N,N-diethyl-hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N,N-diethylhexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N,N-diethylhexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N,N-diethyl-hexanamide Formula: C17H25N3O3S MolecularWeight: 351.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCN(CC)C(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H25N3O3S/c1-3-20(4-2)16(21)12-6-5-9-13-18-17-14-10-7-8-11-15(14)24(22,23)19-17/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H,18,19)