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

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2-chloro-4-nitro-benzamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2-chloro-4-nitro-benzamide Formula: C15H11BrClN3O3S MolecularWeight: 428.68814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O3S/c1-8-2-5-13(11(16)6-8)18-15(24)19-14(21)10-4-3-9(20(22)23)7-12(10)17/h2-7H,1H3,(H2,18,19,21,24)