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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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