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

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O6S/c1-12-15(3-2-4-16(12)24(28)29)20-19(31)21-18(25)14-11-13(23(26)27)5-6-17(14)22-7-9-30-10-8-22/h2-6,11H,7-10H2,1H3,(H2,20,21,25,31)