N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-12-2-4-14(17(24)10-12)20-19(29)21-18(25)13-3-5-15(16(11-13)23(26)27)22-6-8-28-9-7-22/h2-5,10-11,24H,6-9H2,1H3,(H2,20,21,25,29)