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

Systemtic Name: N-[(2-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-(o-tolylcarbamothioyl)benzamide CAS Name: N-[(2-methylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-(o-tolylthiocarbamoyl)benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H20N4O4S/c1-13-4-2-3-5-16(13)20-19(28)21-18(24)15-12-14(23(25)26)6-7-17(15)22-8-10-27-11-9-22/h2-7,12H,8-11H2,1H3,(H2,20,21,24,28)