N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C16H13BrClN3O3S MolecularWeight: 442.71472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClN3O3S/c17-12-9-11(21(23)24)6-7-14(12)19-16(25)20-15(22)8-5-10-3-1-2-4-13(10)18/h1-4,6-7,9H,5,8H2,(H2,19,20,22,25)