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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H20BrN3O3S/c17-13-10-12(20(22)23)7-8-14(13)18-16(24)19-15(21)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H2,18,19,21,24)