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

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-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=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

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

InChI

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