N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]cyclohexanecarboxamide Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3S/c15-11-8-10(18(20)21)6-7-12(11)16-14(22)17-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,19,22)