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

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

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