N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C18H19ClN4O5S2 MolecularWeight: 470.95026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O5S2/c1-18(2,3)22-30(27,28)13-7-5-12(6-8-13)20-17(29)21-16(24)11-4-9-14(19)15(10-11)23(25)26/h4-10,22H,1-3H3,(H2,20,21,24,29)