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

Systemtic Name: N-[(4-dimethylaminophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-dimethylaminophenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-dimethylaminophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-dimethylaminophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4S/c1-23(2)15-5-3-14(4-6-15)21-20(30)22-19(26)17-13-16(25(27)28)7-8-18(17)24-9-11-29-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,21,22,26,30)