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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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