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

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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