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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-quinolin-2-yl-hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-quinolyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-quinolinyl)hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-quinolin-2-ylhexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(2-quinolyl)hexanamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NC2=CC=CC=C2C=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)NC1=NC2=CC=CC=C2C=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3S/c1-2-3-10-18(24-21-16-9-5-7-12-19(16)30(28,29)26-21)22(27)25-20-14-13-15-8-4-6-11-17(15)23-20/h4-9,11-14,18H,2-3,10H2,1H3,(H,24,26)(H,23,25,27)