N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H17N5O8S2 MolecularWeight: 531.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O8S2/c1-34-18-6-2-15(3-7-18)24-36(32,33)19-8-4-14(5-9-19)22-21(35)23-20(27)13-10-16(25(28)29)12-17(11-13)26(30)31/h2-12,24H,1H3,(H2,22,23,27,35)