N-[(2,6-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H22N4O4S/c1-13-4-3-5-14(2)18(13)21-20(29)22-19(25)16-12-15(24(26)27)6-7-17(16)23-8-10-28-11-9-23/h3-7,12H,8-11H2,1-2H3,(H2,21,22,25,29)