N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-bromo-2-methyl-phenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-bromo-2-methylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O3S/c1-9-8-11(16)4-7-13(9)17-15(23)18-14(20)10-2-5-12(6-3-10)19(21)22/h2-8H,1H3,(H2,17,18,20,23)