3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C17H15BrClN3O5S MolecularWeight: 488.7401

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrClN3O5S/c1-26-6-7-27-15-5-2-10(8-12(15)18)16(23)21-17(28)20-11-3-4-13(19)14(9-11)22(24)25/h2-5,8-9H,6-7H2,1H3,(H2,20,21,23,28)