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

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O5S/c1-17-15-19(7-9-22(17)28-24(32)18-5-3-2-4-6-18)27-26(37)29-25(33)21-16-20(31(34)35)8-10-23(21)30-11-13-36-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,28,32)(H2,27,29,33,37)