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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H17BrClN3O3S MolecularWeight: 470.76788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O3S/c1-18(2,3)12-6-4-10(8-13(12)19)16(24)22-17(27)21-11-5-7-14(20)15(9-11)23(25)26/h4-9H,1-3H3,(H2,21,22,24,27)