N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C18H15N5O6S2 MolecularWeight: 461.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S2/c1-11-9-16(21-29-11)22-31(27,28)15-7-5-13(6-8-15)19-18(30)20-17(24)12-3-2-4-14(10-12)23(25)26/h2-10H,1H3,(H,21,22)(H2,19,20,24,30)