N-[2-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H23N5O6S MolecularWeight: 509.53432

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=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H23N5O6S/c1-15-13-17(5-6-18(15)26-23(31)21-3-2-10-35-21)25-24(36)27-22(30)16-4-7-19(20(14-16)29(32)33)28-8-11-34-12-9-28/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,26,31)(H2,25,27,30,36)