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

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-3-25(4-2)17-7-5-16(6-8-17)23-22(32)24-21(28)19-15-18(27(29)30)9-10-20(19)26-11-13-31-14-12-26/h5-10,15H,3-4,11-14H2,1-2H3,(H2,23,24,28,32)