N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C23H29N5O4S/c1-4-26(5-2)17-6-8-20(16(3)14-17)24-23(33)25-22(29)19-15-18(28(30)31)7-9-21(19)27-10-12-32-13-11-27/h6-9,14-15H,4-5,10-13H2,1-3H3,(H2,24,25,29,33)