N-[(3-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-N-(m-tolylcarbamothioyl)-5-nitro-benzamide CAS Name: N-[(3-methylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-N-(m-tolylthiocarbamoyl)-5-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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