4-tert-butyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-18(2,3)12-6-4-11(5-7-12)16(23)21-17(26)20-15-9-8-13(22(24)25)10-14(15)19/h4-10H,1-3H3,(H2,20,21,23,26)