N-[(2-methylquinolin-8-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-methyl-8-quinolyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-methylquinolin-8-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-methyl-8-quinolyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C=C1

InChI

InChI=1S/C22H21N5O4S/c1-14-5-6-15-3-2-4-18(20(15)23-14)24-22(32)25-21(28)17-13-16(27(29)30)7-8-19(17)26-9-11-31-12-10-26/h2-8,13H,9-12H2,1H3,(H2,24,25,28,32)