N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-(4-tert-butylphenoxy)butanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-(4-tert-butylphenoxy)butanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-(4-tert-butylphenoxy)butyramide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-21(2,3)14-6-9-16(10-7-14)29-12-4-5-19(26)24-20(30)23-18-11-8-15(25(27)28)13-17(18)22/h6-11,13H,4-5,12H2,1-3H3,(H2,23,24,26,30)