N-[(4-bromophenyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)Br

InChI

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