3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-quinolin-8-ylethyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-quinolin-8-ylethyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(8-quinolyl)ethyl]propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(8-quinolinyl)ethyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-quinolin-8-ylethyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(8-quinolyl)ethyl]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H20N4O3S/c26-19(22-13-10-16-6-3-5-15-7-4-12-23-20(15)16)11-14-24-21-17-8-1-2-9-18(17)29(27,28)25-21/h1-9,12H,10-11,13-14H2,(H,22,26)(H,24,25)