N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl]-2-methyl-cinchoninamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3S/c1-14-13-17(15-7-2-4-9-18(15)24-14)21(26)23-12-6-11-22-20-16-8-3-5-10-19(16)29(27,28)25-20/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,26)